EVODEX.1-P2948

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C14 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6@:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-N20 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:14](-[#7:13](-[H:37])-[H:38])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6@:8](-[#6:7])(-[#6:10])-[#7:13](-[H:37])-[H:38].[#8:9]=[#6:14](-[#6:15])-[#6:21]

EVODEX.1-Em536 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])(-[#7:7])-[#6:8]=[#8:9].[#6:16]-[#6:17](=[#8:18])-[#6:19]=[#8:20]>>[#6:5]-[#6:6](-[#6:8]=[#8:9])=[#8:18].[H]-[#6:17](-[#7:7])(-[#6:16])-[#6:19]=[#8:20]

EVODEX.1-Cm49 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-Nm75 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6:8](-[#6:7])(-[#6:10])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]

Source Full Reactions

EVODEX.1-R3622

Full Reaction Rendering

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