EVODEX.1-P5275 - Partial Reaction

SMIRKS

[H][N:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:57])[H:58])=[O:34])([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:74])[H:75]>>[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:57])[H:58])=[O:34])([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:74])[H:75])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-R6035

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