EVODEX.1-P7351 - Partial Reaction

SMIRKS

[H][N:5]([C@@:4]([C@@:2]([C:1]([H:59])([H:60])[H:61])([O:3][H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54]>>[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C@@:2]([C:1]([H:59])([H:60])[H:61])([O:3][H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54])N([H])[H]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F87 - Elemental Balance

O	2
C	9
N	1
H	9

EVODEX.1-M226 - Mass Difference

163.06337

EVODEX.1-E656 - Reaction Operator E

[#7:1](-[#6:2])(-[H:69])-[H]>>[#7:1](-[#6:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:69]

EVODEX.1-C853 - Reaction Operator C

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

EVODEX.1-N1064 - Reaction Operator N

[H]-[#7:1](-[#6:2])-[H:69]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6:2])-[H:69])-[#7](-[H])-[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-R7821

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