EVODEX.1-P5206 - Partial Reaction

SMIRKS

[H][N:9]([C@@:8]([C:7]([C:6]([C:4]([O:3][C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])=[O:5])([H:69])[H:70])([H:67])[H:68])([C:10](=[O:11])[O:12][C:13]([C:14]([H:61])([H:62])[H:63])([H:64])[H:65])[H:66])[H:59]>>[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:9]([C@@:8]([C:7]([C:6]([C:4]([O:3][C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])=[O:5])([H:69])[H:70])([H:67])[H:68])([C:10](=[O:11])[O:12][C:13]([C:14]([H:61])([H:62])[H:63])([H:64])[H:65])[H:66])[H:59])N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F518 - Elemental Balance

O	2
C	13
N	4
H	16

EVODEX.1-M491 - Mass Difference

260.12748

EVODEX.1-E1336 - Reaction Operator E

[#6:34]-[#7:35](-[H:58])-[H]>>[#6](=[#8])(-[#6@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H])-[H])-[#7:35](-[#6:34])-[H:58]

EVODEX.1-C639 - Reaction Operator C

[H]-[#7:31]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:31])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-N794 - Reaction Operator N

[H]-[#7:31](-[#6:30])-[H:54]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:31](-[#6:30])-[H:54])-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-Em4 - Reaction Operator Em

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

EVODEX.1-Cm5 - Reaction Operator Cm

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

EVODEX.1-Nm4 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R5967

[C:15]([C:16]([O:17][C:18](=[O:19])[C@:20]([C:21]([C:22]([C:23]([N:24]([C:25](=[N:26][H:37])[N:27]([H:38])[H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([N:28]([C:29](=[O:30])[C:31]1:[C:32]([H:47]):[C:33]([H:48]):[C:34]([H:49]):[C:35]([H:50]):[C:36]:1[H:51])[H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58].[H][N:9]([C@@:8]([C:7]([C:6]([C:4]([O:3][C:2]([C:1]([H:73])([H:74])[H:75])([H:71])[H:72])=[O:5])([H:69])[H:70])([H:67])[H:68])([C:10](=[O:11])[O:12][C:13]([C:14]([H:61])([H:62])[H:63])([H:64])[H:65])[H:66])[H:59]>>[H][O:17][C:16]([C:15]([H:56])([H:57])[H:58])([H:54])[H:55].[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([C@:8]([N:9]([C:18](=[O:19])[C@:20]([C:21]([C:22]([C:23]([N:24]([C:25](=[N:26][H:37])[N:27]([H:38])[H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([N:28]([C:29](=[O:30])[C:31]1:[C:32]([H:47]):[C:33]([H:48]):[C:34]([H:49]):[C:35]([H:50]):[C:36]:1[H:51])[H:52])[H:53])[H:59])([C:10](=[O:11])[O:12][C:13]([C:14]([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:74])[H:75]