EVODEX.1-P5488

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R6229

Full Reaction Rendering

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