EVODEX.1-P5218

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([O:3][C:4](=[O:5])[C@@:6]([N:7]([H:24])[H:25])([C:8]([C:9]([C:10]([C:11]([N:12]([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[S:13](=[O:14])(=[O:15])[C:16]1:[C:17]([H:36]):[C:18]([H:37]):[C:19]([C:20]([H:38])([H:39])[H:40]):[C:21]([H:41]):[C:22]:1[H:42])([H:43])[H:44])([H:45])([H:46])[H:47].[H][O:23][H:48]>>[C:1]([C:2]([O:23][H:48])([H:43])[H:44])([H:45])([H:46])[H:47].[H][O:3][C:4](=[O:5])[C@@:6]([N:7]([H:24])[H:25])([C:8]([C:9]([C:10]([C:11]([N:12]([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[S:13](=[O:14])(=[O:15])[C:16]1:[C:17]([H:36]):[C:18]([H:37]):[C:19]([C:20]([H:38])([H:39])[H:40]):[C:21]([H:41]):[C:22]:1[H:42]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E97 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4]-[#6:5])(-[H:20])-[H:21].[#8:14](-[H:27])-[H]>>[#6:2]-[#6:3](-[#8:14]-[H:27])(-[H:20])-[H:21].[#8:4](-[#6:5])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N638 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](-[#8:3]-[#6:4])(-[H:21])-[H:22].[H]-[#8:13]-[H:26]>>[#6:1]-[#6:2](-[#8:13]-[H:26])(-[H:21])-[H:22].[H]-[#8:3]-[#6:4]

EVODEX.1-Em117 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm151 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R5979

Full Reaction Rendering

[C:1]([C:2]([O:3][C:4](=[O:5])[C@@:6]([N:7]([H:24])[H:25])([C:8]([C:9]([C:10]([C:11]([N:12]([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[S:13](=[O:14])(=[O:15])[C:16]1:[C:17]([H:36]):[C:18]([H:37]):[C:19]([C:20]([H:38])([H:39])[H:40]):[C:21]([H:41]):[C:22]:1[H:42])([H:43])[H:44])([H:45])([H:46])[H:47].[H][O:23][H:48]>>[C:1]([C:2]([O:23][H:48])([H:43])[H:44])([H:45])([H:46])[H:47].[H][O:3][C:4](=[O:5])[C@@:6]([N:7]([H:24])[H:25])([C:8]([C:9]([C:10]([C:11]([N:12]([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[S:13](=[O:14])(=[O:15])[C:16]1:[C:17]([H:36]):[C:18]([H:37]):[C:19]([C:20]([H:38])([H:39])[H:40]):[C:21]([H:41]):[C:22]:1[H:42]