EVODEX.1-P544

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2]1([C:1]([H:36])([H:37])[H:38])[N:3]([H])[C:4]2:[C:5]([H:29]):[N:6]:[C:7]([H:30]):[N:8]:[C:9]:2[N:10]([H:31])[C:11]1([C:12]([H:32])([H:33])[H:34])[H:35].[H][C:15]([C@:14]([N:13]([H:48])[H:49])([C:22](=[O:23])[O:24][H:46])[H:47])([C:16]1:[C:17]([H:39]):[C:18]([H:40]):[C:19]([H:41]):[C:20]([H:42]):[C:21]:1[H:43])[H:44].[O:25]=[O:26]>>[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:29]):[N:6]:[C:7]([H:30]):[N:8]:[C:9]:2[N:10]([H:31])[C:11]1([C:12]([H:32])([H:33])[H:34])[H:35])([H:36])([H:37])[H:38].[H][O:25][C:15]([C@:14]([N:13]([H:48])[H:49])([C:22](=[O:23])[O:24][H:46])[H:47])([C:16]1:[C:17]([H:39]):[C:18]([H:40]):[C:19]([H:41]):[C:20]([H:42]):[C:21]:1[H:43])[H:44].[H][O:26][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-R523

Full Reaction Rendering

[H][C:2]1([C:1]([H:36])([H:37])[H:38])[N:3]([H])[C:4]2:[C:5]([H:29]):[N:6]:[C:7]([H:30]):[N:8]:[C:9]:2[N:10]([H:31])[C:11]1([C:12]([H:32])([H:33])[H:34])[H:35].[H][C:15]([C@:14]([N:13]([H:48])[H:49])([C:22](=[O:23])[O:24][H:46])[H:47])([C:16]1:[C:17]([H:39]):[C:18]([H:40]):[C:19]([H:41]):[C:20]([H:42]):[C:21]:1[H:43])[H:44].[O:25]=[O:26]>>[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:29]):[N:6]:[C:7]([H:30]):[N:8]:[C:9]:2[N:10]([H:31])[C:11]1([C:12]([H:32])([H:33])[H:34])[H:35])([H:36])([H:37])[H:38].[H][O:25][C:15]([C@:14]([N:13]([H:48])[H:49])([C:22](=[O:23])[O:24][H:46])[H:47])([C:16]1:[C:17]([H:39]):[C:18]([H:40]):[C:19]([H:41]):[C:20]([H:42]):[C:21]:1[H:43])[H:44].[H][O:26][H]