EVODEX.1-P2995

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2]([N:1]([H:34])[H:35])([C:3]([C:4]([C:5]([C@:6]([N:7]([H:22])[H:23])([C:8](=[O:9])[O:10][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])[H:32].[O:11]=[C:12]([O:13][H:36])[C:14]([C:15]([C:16]([C:17](=[O:18])[C:19](=[O:20])[O:21][H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43]>>[C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:22])[H:23])([C:8](=[O:9])[O:10][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])(=[O:18])[H:32].[H][C:17]([N:1]([H:34])[H:35])([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:36])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])[C:19](=[O:20])[O:21][H:37]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E245 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:20](-[#6@@:19])(-[#7:21](-[H:61])-[H:62])(-[H:63])-[H].[#6:47]-[#6:48](=[#8:49])-[#6:50]=[#8:51]>>[#6:20](-[#6@@:19])(=[#8:49])-[H:63].[#7:21](-[#6:48](-[#6:47])(-[#6:50]=[#8:51])-[H])(-[H:61])-[H:62]

EVODEX.1-C14 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6@:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-N514 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4].[H]-[#6:8](-[#7:7](-[H:22])-[H:23])(-[#6:9])-[H:20]>>[H]-[#6:2](-[#6:1])(-[#6:4])-[#7:7](-[H:22])-[H:23].[#8:3]=[#6:8](-[#6:9])-[H:20]

EVODEX.1-Em538 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4]=[#8:5].[H]-[#6:8](-[#7:7])-[#6:9]>>[H]-[#6:2](-[#6:1])(-[#6:4]=[#8:5])-[#7:7].[#8:3]=[#6:8]-[#6:9]

EVODEX.1-Cm49 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-Nm487 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4].[H]-[#6:8](-[#7:7])-[#6:9]>>[H]-[#6:2](-[#6:1])(-[#6:4])-[#7:7].[#8:3]=[#6:8]-[#6:9]

Source Full Reactions

EVODEX.1-R3661

Full Reaction Rendering

[H][C:2]([N:1]([H:34])[H:35])([C:3]([C:4]([C:5]([C@:6]([N:7]([H:22])[H:23])([C:8](=[O:9])[O:10][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])[H:32].[O:11]=[C:12]([O:13][H:36])[C:14]([C:15]([C:16]([C:17](=[O:18])[C:19](=[O:20])[O:21][H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43]>>[C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:22])[H:23])([C:8](=[O:9])[O:10][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])(=[O:18])[H:32].[H][C:17]([N:1]([H:34])[H:35])([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:36])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])[C:19](=[O:20])[O:21][H:37]