EVODEX.1-P7218 - Partial Reaction

SMIRKS

[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:51])([H:52])[H:53])[H:58])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54]>>[H]N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:51])([H:52])[H:53])[H:58])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54])N([H])[H]

Derived Operators

EVODEX.1-F176 - Elemental Balance

O	2
C	5
N	2
H	8

EVODEX.1-M266 - Mass Difference

128.05864

EVODEX.1-E860 - Reaction Operator E

[#7:11](-[#6@@:12])(-[H:67])-[H]>>[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:11](-[#6@@:12])-[H:67])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]

EVODEX.1-C830 - Reaction Operator C

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

EVODEX.1-N1041 - Reaction Operator N

[H]-[#7:6](-[#6@@:5])-[H:51]>>[H]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:51])-[#7](-[H])-[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-R7765

[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:51])([H:52])[H:53])[H:58])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54].[N:10]([C:11](=[O:12])[C:13]([C:14]([C@:15]([N:16]([H:64])[H:65])([C:17](=[O:18])[O:19][H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73].[N:20]([C:21]1:[N:22]:[C:23]([H:74]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:75]):[N:29]:2[C@:30]1([H:76])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:77])[O:38][P:39](=[O:40])([O:41][H:78])[O:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80])([H:81])[H:82])([H:83])[C@:47]([O:48][H:84])([H:85])[C@:49]1([O:50][H:86])[H:87])([H:88])[H:89]>>[C:1]([C:2]([C@:3]([C:4]([H:51])([H:52])[H:53])([C@:5]([N:6]([C:17]([C@:15]([C:14]([C:13]([C:11]([N:10]([H:72])[H:73])=[O:12])([H:70])[H:71])([H:68])[H:69])([N:16]([H:64])[H:65])[H:67])=[O:18])[H:54])([C:7](=[O:8])[O:9][H:56])[H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[O:19]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:83])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:74]):[N:22]:[C:21]([N:20]([H:88])[H:89]):[C:26]:3:[N:27]:[C:28]:2[H:75])([H:76])[C@@:49]([O:50][H:86])([H:87])[C@@:47]1([O:48][H:84])[H:85])([H:81])[H:82])(=[O:36])[O:37][H:77])(=[O:40])[O:41][H:78])[H:66].[H][O:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80]