EVODEX.1-P2128 - Partial Reaction

SMIRKS

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)[N:7]([C@@:8]([C:9]([C:10]([C:11](=[O:12])[N:13]([C@@:14]([C:15]([S:16][H:41])([H:42])[H:43])([C:17](=[O:18])[N:19]([C:20]([C:21](=[O:22])[O:23][H:44])([H:45])[H:46])[H:47])[H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([C:24](=[O:25])[O:26][H:54])[H:55])[H:56]>>[H][N:7]([C@@:8]([C:9]([C:10]([C:11](=[O:12])[N:13]([C@@:14]([C:15]([S:16][H:41])([H:42])[H:43])([C:17](=[O:18])[N:19]([C:20]([C:21](=[O:22])[O:23][H:44])([H:45])[H:46])[H:47])[H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([C:24](=[O:25])[O:26][H:54])[H:55])[H:56]

Derived Operators

EVODEX.1-F221 - Elemental Balance

O	-3
C	-5
N	-1
H	-7

EVODEX.1-M73 - Mass Difference

-129.04261

EVODEX.1-E932 - Reaction Operator E

[#6:5]-[#7:6](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H:30]>>[#6:5]-[#7:6](-[H:30])-[H]

EVODEX.1-C368 - Reaction Operator C

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

EVODEX.1-N426 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:7](-[#6:8])-[H:28]>>[H]-[#7:7](-[#6:8])-[H:28]

EVODEX.1-Em1 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

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

EVODEX.1-Nm1 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R2878

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