EVODEX.1-P6256

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E172 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6@@:4](-[#8:5]-[H])(-[#6@@:6](-[#8:7])(-[#6:8])-[H:22])-[H:23]>>[#6:6](-[#8:7])(-[#6:8])(-[H:22])-[H].[#6:3]-[#6:4](=[#8:5])-[H:23]

EVODEX.1-C3 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-N928 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:14]-[#6@@:13](-[#6@:11](-[#6:10])(-[#8:12])-[H:42])(-[#6:15])-[H:41]>>[#6:13](=[#8:14])(-[#6:15])-[H:41].[H]-[#6:11](-[#6:10])(-[#8:12])-[H:42]

EVODEX.1-Em736 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:14]-[#6:13](-[#6:11](-[#6:10])-[#8:12])-[#6:15]>>[#6:13](=[#8:14])-[#6:15].[H]-[#6:11](-[#6:10])-[#8:12]

EVODEX.1-Cm26 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-Nm665 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:14]-[#6:13](-[#6:11](-[#6:10])-[#8:12])-[#6:15]>>[#6:13](=[#8:14])-[#6:15].[H]-[#6:11](-[#6:10])-[#8:12]

Source Full Reactions

EVODEX.1-R6860

Full Reaction Rendering

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