EVODEX.1-P7334 - Partial Reaction

SMIRKS

[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([H:70])[H:71])([C:8](=[O:9])[O:10][H:68])[H:69])[H:66]>>[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([H:70])[H:71])([C:8](=[O:9])[O:10][H:68])[H:69])[H:66])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-R7816

[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:55]):[C:16]([H:56]):[C:17]([O:18][H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])([C:21](=[O:22])[O:23][H:62])[H:63])([H:64])[H:65].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([H:70])[H:71])([C:8](=[O:9])[O:10][H:68])[H:69])[H:66].[N:24]([C:25]1:[N:26]:[C:27]([H:76]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:77]):[N:33]:2[C@:34]1([H:78])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:79])[O:42][P:43](=[O:44])([O:45][H:80])[O:46][P:47](=[O:48])([O:49][H:81])[O:50][H:82])([H:83])[H:84])([H:85])[C@:51]([O:52][H:86])([H:87])[C@:53]1([O:54][H:88])[H:89])([H:90])[H:91]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:21]([C@@:12]([N:11]([H:64])[H:65])([C:13]([C:14]1:[C:15]([H:55]):[C:16]([H:56]):[C:17]([O:18][H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])[H:63])=[O:22])[H:66])([C:8](=[O:9])[O:10][H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75].[O:23]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:85])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:76]):[N:26]:[C:25]([N:24]([H:90])[H:91]):[C:30]:3:[N:31]:[C:32]:2[H:77])([H:78])[C@@:53]([O:54][H:88])([H:89])[C@@:51]1([O:52][H:86])[H:87])([H:83])[H:84])(=[O:40])[O:41][H:79])(=[O:44])[O:45][H:80])[H:62].[H][O:46][P:47](=[O:48])([O:49][H:81])[O:50][H:82]