EVODEX.1-P2124

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([S:2][C:3]([C@:4]([N:5]([H:25])[H:26])([C:6](=[O:7])[O:8][H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][N:9]([C:10]1:[C:11]([H:34]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([C:15](=[O:16])[C@@:17]([N:18]([H:37])[H:38])([C:19]([C:20]([C:21](=[O:22])[O:23][H:39])([H:40])[H:41])([H:42])[H:43])[H:44]):[C:24]:1[H:45])[H:46]>>[C:1]([S:2][C:3]([C@@:4]([C:6](=[O:7])[O:8][H:27])([N:9]([C:10]1:[C:11]([H:34]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([C:15](=[O:16])[C@@:17]([N:18]([H:37])[H:38])([C:19]([C:20]([C:21](=[O:22])[O:23][H:39])([H:40])[H:41])([H:42])[H:43])[H:44]):[C:24]:1[H:45])[H:46])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][N:5]([H:25])[H:26]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E189 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:7](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[H:30])-[H:31].[#7:15](-[#6:16])(-[H:46])-[H]>>[#7:15](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[#6:16])-[H:46].[#7:7](-[H:30])(-[H:31])-[H]

EVODEX.1-C13 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-N423 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:7](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[H:30])-[H:31].[H]-[#7:15](-[#6:16])-[H:46]>>[#7:15](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[#6:16])-[H:46].[H]-[#7:7](-[H:30])-[H:31]

EVODEX.1-Em469 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](-[#7:7])-[#6:8].[H]-[#7:15]-[#6:16]>>[#6:5]-[#6:6](-[#7:15]-[#6:16])-[#6:8].[H]-[#7:7]

EVODEX.1-Cm47 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-Nm420 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6](-[#7:7])-[#6:8].[H]-[#7:15]-[#6:16]>>[#6:5]-[#6:6](-[#7:15]-[#6:16])-[#6:8].[H]-[#7:7]

Source Full Reactions

EVODEX.1-R2874

Full Reaction Rendering

[C:1]([S:2][C:3]([C@:4]([N:5]([H:25])[H:26])([C:6](=[O:7])[O:8][H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][N:9]([C:10]1:[C:11]([H:34]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([C:15](=[O:16])[C@@:17]([N:18]([H:37])[H:38])([C:19]([C:20]([C:21](=[O:22])[O:23][H:39])([H:40])[H:41])([H:42])[H:43])[H:44]):[C:24]:1[H:45])[H:46]>>[C:1]([S:2][C:3]([C@@:4]([C:6](=[O:7])[O:8][H:27])([N:9]([C:10]1:[C:11]([H:34]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([C:15](=[O:16])[C@@:17]([N:18]([H:37])[H:38])([C:19]([C:20]([C:21](=[O:22])[O:23][H:39])([H:40])[H:41])([H:42])[H:43])[H:44]):[C:24]:1[H:45])[H:46])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][N:5]([H:25])[H:26]