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Reactions Similar in Bond Changes to M0127

Please note, this page may take a while to load. This displays the reactions with similar (as calculated by a Tanimoto similarity) to the reaction M0127 at the level of the bond changes defined. The fingerprint from which the Tanimoto similarity score is calculated is continuous (i.e. it takes into account the number of different bond changes as well as the identity of the bond changes).


Reactive Centre (Manual (Composite) Annotation) of Target Reaction

Bonds Formed Bonds Cleaved Bonds Changed in Order Atom Types Involved
Fe-C
Fe-H
Fe-H
Fe-H
Fe-H
Fe-H
H-H
N-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
S-H
S-H
Fe-C
Fe-H
Fe-H
Fe-H
Fe-H
Fe-H
N-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
O-H
S-H
S-H
The C-O bond changes from a single to double bond
The C-O bond changes from a single to double bond
The C-O bond changes from a single to double bond
The C-O bond changes from a single to double bond
The C-O bond changes from a double to single bond
The C-O bond changes from a double to single bond
The C-O bond changes from a double to single bond
The C-O bond changes from a double to single bond
C
Fe
H
N
O
S

Key

1.0-0.9 0.9-0.8 0.8-0.7 0.7-0.6 0.6-0.5 0.5-0.4 0.4-0.3 0.3-0.2 0.2-0.1 0.1-0.0 =0

Results

Reactions identical to M0127

There are 0 identical reactions with respect to the bond changes.

Reactions similar to M0127

There are 5 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0208
1.10.2.2
00.47610.25710.3737Compare
M0133
1.14.15.1
00.47120.03740.3156Compare
M0148
2.2.1.2
00.530.24990.4069Compare
M0029
3.5.1.38
00.58590.21150.4337Compare
M0222
4.1.2.13
00.44950.52770.4241Compare

OVERVIEW OF ALL RESULTS

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