EVODEX.1-P7358 - Partial Reaction

SMIRKS

[H][N:7]([C@@:8]([C:9]([C@@:10]1([H:74])[C:11]([H:75])=[C:12]([H:76])[C:13](=[O:14])[C:15]([H:77])([H:78])[C:16]1([H:79])[H:80])([H:81])[H:82])([C:17](=[O:18])[O:19][H:83])[H:84])[H:85]>>[H]N([H])[C@]([H])(C(=O)[N:7]([C@@:8]([C:9]([C@@:10]1([H:74])[C:11]([H:75])=[C:12]([H:76])[C:13](=[O:14])[C:15]([H:77])([H:78])[C:16]1([H:79])[H:80])([H:81])[H:82])([C:17](=[O:18])[O:19][H:83])[H:84])[H:85])C([H])([H])[H]

Derived Operators

EVODEX.1-F223 - Elemental Balance

O	1
C	3
N	1
H	5

EVODEX.1-M74 - Mass Difference

71.03715000000001

EVODEX.1-E938 - Reaction Operator E

[#7:7](-[#6@@:8])(-[H:85])-[H]>>[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:85])-[H])(-[H])(-[H])-[H]

EVODEX.1-C819 - Reaction Operator C

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

EVODEX.1-N1030 - Reaction Operator N

[H]-[#7:7](-[#6@@:8])-[H:85]>>[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:85])-[#6](-[H])(-[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-R7824

[C:1]([C@:2]([N:3]([H:51])[H:52])([C:4](=[O:5])[O:6][H:53])[H:54])([H:55])([H:56])[H:57].[N:20]([C:21]1:[N:22]:[C:23]([H:58]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:59]):[N:29]:2[C@:30]1([H:60])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:61])[O:38][P:39](=[O:40])([O:41][H:62])[O:42][P:43](=[O:44])([O:45][H:63])[O:46][H:64])([H:65])[H:66])([H:67])[C@:47]([O:48][H:68])([H:69])[C@:49]1([O:50][H:70])[H:71])([H:72])[H:73].[H][N:7]([C@@:8]([C:9]([C@@:10]1([H:74])[C:11]([H:75])=[C:12]([H:76])[C:13](=[O:14])[C:15]([H:77])([H:78])[C:16]1([H:79])[H:80])([H:81])[H:82])([C:17](=[O:18])[O:19][H:83])[H:84])[H:85]>>[C:1]([C@:2]([N:3]([H:51])[H:52])([C:4](=[O:5])[N:7]([C@@:8]([C:9]([C@@:10]1([H:74])[C:11]([H:75])=[C:12]([H:76])[C:13](=[O:14])[C:15]([H:77])([H:78])[C:16]1([H:79])[H:80])([H:81])[H:82])([C:17](=[O:18])[O:19][H:83])[H:84])[H:85])[H:54])([H:55])([H:56])[H:57].[H][O:42][P:43](=[O:44])([O:45][H:63])[O:46][H:64].[O:6]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:67])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:58]):[N:22]:[C:21]([N:20]([H:72])[H:73]):[C:26]:3:[N:27]:[C:28]:2[H:59])([H:60])[C@@:49]([O:50][H:70])([H:71])[C@@:47]1([O:48][H:68])[H:69])([H:65])[H:66])(=[O:36])[O:37][H:61])(=[O:40])[O:41][H:62])[H:53]