EVODEX.1-P5481

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R6223

Full Reaction Rendering

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