EVODEX.1-P781

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E180 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](=[#8:8])-[#8:9]-[H:18].[#8:14](-[#8:15]-[H])-[H]>>[#6:6]-[#6:7](=[#8:8])-[H].[#8:14]=[#8:15].[#8:9](-[H:18])-[H]

EVODEX.1-C237 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:6]-[#8:8].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6].[#8:13]=[#8:14].[H]-[#8:8]

EVODEX.1-N221 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#8:8]-[H:16].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6](-[#6:5])=[#8:7].[#8:13]=[#8:14].[H]-[#8:8]-[H:16]

EVODEX.1-Em314 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#8:8].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6](-[#6:5])=[#8:7].[#8:13]=[#8:14].[H]-[#8:8]

EVODEX.1-Cm219 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:8].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6].[#8:13]=[#8:14].[H]-[#8:8]

EVODEX.1-Nm305 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#8:8].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6](-[#6:5])=[#8:7].[#8:13]=[#8:14].[H]-[#8:8]

Source Full Reactions

EVODEX.1-R744

Full Reaction Rendering

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