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EVODEX.1-P5794

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C(=O)[N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:71])([H:72])[H:73])([H:69])[H:70])([H:67])[H:68])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:43])([H:44])[H:45])([H:46])[H:47])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]1:[C:24]([H:48]):[N:25]:[C:26]([H:49]):[N:27]:1[H:50])([H:51])[H:52])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([C:33]([C:34]([N:35]([H:53])[H:54])=[O:36])([H:55])[H:56])([H:57])[H:58])([C:37](=[O:38])[O:39][H:59])[H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:42]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:71])([H:72])[H:73])([H:69])[H:70])([H:67])[H:68])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:43])([H:44])[H:45])([H:46])[H:47])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]1:[C:24]([H:48]):[N:25]:[C:26]([H:49]):[N:27]:1[H:50])([H:51])[H:52])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([C:33]([C:34]([N:35]([H:53])[H:54])=[O:36])([H:55])[H:56])([H:57])[H:58])([C:37](=[O:38])[O:39][H:59])[H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:42]

Derived Operators

EVODEX.1-F37 - Elemental Balance

O-1
C-1

EVODEX.1-M56 - Mass Difference

-27.9949

EVODEX.1-E508 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6](=[#8])-[H])-[H:10]>>[#6:4]-[#7:5](-[H:10])-[H]

EVODEX.1-C107 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N303 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](=[#8])-[#7:4](-[#6:5])-[H:16]>>[H]-[#7:4](-[#6:5])-[H:16]

EVODEX.1-Em88 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm124 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6487

Full Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:41])[H:42])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:43])([H:44])[H:45])([H:46])[H:47])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]1:[C:24]([H:48]):[N:25]:[C:26]([H:49]):[N:27]:1[H:50])([H:51])[H:52])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([C:33]([C:34]([N:35]([H:53])[H:54])=[O:36])([H:55])[H:56])([H:57])[H:58])([C:37](=[O:38])[O:39][H:59])[H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])([H:72])[H:73].[H][O:40][H:74]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:71])([H:72])[H:73])([H:69])[H:70])([H:67])[H:68])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:43])([H:44])[H:45])([H:46])[H:47])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]1:[C:24]([H:48]):[N:25]:[C:26]([H:49]):[N:27]:1[H:50])([H:51])[H:52])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([C:33]([C:34]([N:35]([H:53])[H:54])=[O:36])([H:55])[H:56])([H:57])[H:58])([C:37](=[O:38])[O:39][H:59])[H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:42].[C:7](=[O:8])([O:40][H:74])[H:41]