EVODEX.1-P557

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:18]([C:17]1:[C:16]([H:29]):[C:15]([H:28]):[C:14]([C:13]([H:38])([H:39])[H:40]):[C:25]([H:37]):[C:24]:1[H:36])([C@:19]([N:20]([H:30])[H:31])([C:21](=[O:22])[O:23][H:32])[H:33])[H:34].[H][C:2]1([C:1]([H:50])([H:51])[H:52])[N:3]([H])[C:4]2:[C:5]([H:43]):[N:6]:[C:7]([H:44]):[N:8]:[C:9]:2[N:10]([H:45])[C:11]1([C:12]([H:46])([H:47])[H:48])[H:49].[O:26]=[O:27]>>[H][O:26][C:18]([C:17]1:[C:16]([H:29]):[C:15]([H:28]):[C:14]([C:13]([H:38])([H:39])[H:40]):[C:25]([H:37]):[C:24]:1[H:36])([C@:19]([N:20]([H:30])[H:31])([C:21](=[O:22])[O:23][H:32])[H:33])[H:34].[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:43]):[N:6]:[C:7]([H:44]):[N:8]:[C:9]:2[N:10]([H:45])[C:11]1([C:12]([H:46])([H:47])[H:48])[H:49])([H:50])([H:51])[H:52].[H][O:27][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E293 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8]-[#6:9](-[#6:10])(-[H:63])-[H].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[#6:8]-[#6:9](-[#6:10])(-[#8:40]-[H])-[H:63].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29].[#8:41](-[H])-[H]

EVODEX.1-C216 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:9].[H]-[#6@:28]-[#7:39]-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9].[#6:28]=[#7:39].[H]-[#8:41]-[H]

EVODEX.1-N193 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:9](-[#6:8])(-[#6:10])-[H:63].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9](-[#6:8])(-[#6:10])-[H:63].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29].[H]-[#8:41]-[H]

EVODEX.1-Em275 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:9](-[#6:8])-[#6:10].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9](-[#6:8])-[#6:10].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29].[H]-[#8:41]-[H]

EVODEX.1-Cm194 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:9].[H]-[#6:28]-[#7:39]-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9].[#6:28]=[#7:39].[H]-[#8:41]-[H]

EVODEX.1-Nm273 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:9](-[#6:8])-[#6:10].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H].[#8:40]=[#8:41]>>[H]-[#8:40]-[#6:9](-[#6:8])-[#6:10].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29].[H]-[#8:41]-[H]

Source Full Reactions

EVODEX.1-R532

Full Reaction Rendering

[H][C:18]([C:17]1:[C:16]([H:29]):[C:15]([H:28]):[C:14]([C:13]([H:38])([H:39])[H:40]):[C:25]([H:37]):[C:24]:1[H:36])([C@:19]([N:20]([H:30])[H:31])([C:21](=[O:22])[O:23][H:32])[H:33])[H:34].[H][C:2]1([C:1]([H:50])([H:51])[H:52])[N:3]([H])[C:4]2:[C:5]([H:43]):[N:6]:[C:7]([H:44]):[N:8]:[C:9]:2[N:10]([H:45])[C:11]1([C:12]([H:46])([H:47])[H:48])[H:49].[O:26]=[O:27]>>[H][O:26][C:18]([C:17]1:[C:16]([H:29]):[C:15]([H:28]):[C:14]([C:13]([H:38])([H:39])[H:40]):[C:25]([H:37]):[C:24]:1[H:36])([C@:19]([N:20]([H:30])[H:31])([C:21](=[O:22])[O:23][H:32])[H:33])[H:34].[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:43]):[N:6]:[C:7]([H:44]):[N:8]:[C:9]:2[N:10]([H:45])[C:11]1([C:12]([H:46])([H:47])[H:48])[H:49])([H:50])([H:51])[H:52].[H][O:27][H]