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EVODEX.1-P6522

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])(O[H])[N:36]([C:34]([C:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:42])([H:43])[H:44])[H:72])([N:5]([C:6](=[O:7])[C:8]([C:9]([C:10]1:[C:11]([H:45]):[C:12]([H:46]):[C:13]([O:14][H:47]):[C:15]([H:48]):[C:16]:1[H:49])([H:50])[H:51])([N:17]([S:18](=[O:19])(=[O:20])[C:21]1:[C:22]([H:52]):[C:23]([H:53]):[C:24]([H:54]):[C:25]2:[C:26]([N:27]([C:28]([H:55])([H:56])[H:57])[C:29]([H:58])([H:59])[H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]([H:63]):[C:33]:1:2)[H:64])[H:65])[H:66])[H:71])=[O:35])[H:70]>>[H][N:36]([C:34]([C:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:42])([H:43])[H:44])[H:72])([N:5]([C:6](=[O:7])[C:8]([C:9]([C:10]1:[C:11]([H:45]):[C:12]([H:46]):[C:13]([O:14][H:47]):[C:15]([H:48]):[C:16]:1[H:49])([H:50])[H:51])([N:17]([S:18](=[O:19])(=[O:20])[C:21]1:[C:22]([H:52]):[C:23]([H:53]):[C:24]([H:54]):[C:25]2:[C:26]([N:27]([C:28]([H:55])([H:56])[H:57])[C:29]([H:58])([H:59])[H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]([H:63]):[C:33]:1:2)[H:64])[H:65])[H:66])[H:71])=[O:35])[H:70]

Derived Operators

EVODEX.1-F97 - Elemental Balance

C-2
O-3
H-2

EVODEX.1-M109 - Mass Difference

-74.00036

EVODEX.1-E682 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6](-[#8]-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H:20]>>[#6:4]-[#7:5](-[H:20])-[H]

EVODEX.1-C754 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N961 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#8]-[H])-[#7:5](-[#6:4])-[H:20]>>[H]-[#7:5](-[#6:4])-[H:20]

EVODEX.1-Em779 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[#8])-[#7:5]-[#6:4]>>[H]-[#7:5]-[#6:4]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm700 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[#8])-[#7:5]-[#6:4]>>[H]-[#7:5]-[#6:4]

Source Full Reactions

EVODEX.1-R7102

Full Reaction Rendering

[H][O:38][C:37]([N:36]([C:34]([C:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:42])([H:43])[H:44])[H:72])([N:5]([C:6](=[O:7])[C:8]([C:9]([C:10]1:[C:11]([H:45]):[C:12]([H:46]):[C:13]([O:14][H:47]):[C:15]([H:48]):[C:16]:1[H:49])([H:50])[H:51])([N:17]([S:18](=[O:19])(=[O:20])[C:21]1:[C:22]([H:52]):[C:23]([H:53]):[C:24]([H:54]):[C:25]2:[C:26]([N:27]([C:28]([H:55])([H:56])[H:57])[C:29]([H:58])([H:59])[H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]([H:63]):[C:33]:1:2)[H:64])[H:65])[H:66])[H:71])=[O:35])[H:70])([C:39](=[O:40])[O:41][H:68])[H:69]>>[H][N:36]([C:34]([C:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:42])([H:43])[H:44])[H:72])([N:5]([C:6](=[O:7])[C:8]([C:9]([C:10]1:[C:11]([H:45]):[C:12]([H:46]):[C:13]([O:14][H:47]):[C:15]([H:48]):[C:16]:1[H:49])([H:50])[H:51])([N:17]([S:18](=[O:19])(=[O:20])[C:21]1:[C:22]([H:52]):[C:23]([H:53]):[C:24]([H:54]):[C:25]2:[C:26]([N:27]([C:28]([H:55])([H:56])[H:57])[C:29]([H:58])([H:59])[H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]([H:63]):[C:33]:1:2)[H:64])[H:65])[H:66])[H:71])=[O:35])[H:70].[C:37](=[O:38])([C:39](=[O:40])[O:41][H:68])[H:69]