EVODEX.1-P7084 - Partial Reaction

SMIRKS

[H][N:17]([C@@:18]([C:19]([O:20][H:55])([H:56])[H:57])([C:21](=[O:22])[O:23][H:58])[H:59])[H:60]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)[N:17]([C@@:18]([C:19]([O:20][H:55])([H:56])[H:57])([C:21](=[O:22])[O:23][H:58])[H:59])[H:60])C([H])([H])S[H]

Derived Operators

EVODEX.1-F208 - Elemental Balance

O	4
C	8
S	1
N	2
H	12

EVODEX.1-M280 - Mass Difference

232.05186000000003

EVODEX.1-E913 - Reaction Operator E

[#6:3]-[#7:4](-[H:55])-[H]>>[#6:3]-[#7:4](-[#6](-[#6@@](-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H])(-[#6](-[#16]-[H])(-[H])-[H])-[H])=[#8])-[H:55]

EVODEX.1-C812 - Reaction Operator C

[H]-[#7:4]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:4])-[#6](-[H])(-[H])-[#16]-[H]

EVODEX.1-N1023 - Reaction Operator N

[H]-[#7:4](-[#6:3])-[H:55]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:4](-[#6:3])-[H:55])-[#6](-[H])(-[H])-[#16]-[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-R7686

[H][N:17]([C@@:18]([C:19]([O:20][H:55])([H:56])[H:57])([C:21](=[O:22])[O:23][H:58])[H:59])[H:60].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([C@@:8]([C:9]([S:10][H:62])([H:63])[H:64])([C:11](=[O:12])[O:13][H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([C:14](=[O:15])[O:16][H:72])[H:73])([H:74])[H:75].[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]([C:3]([C:4]([C:5](=[O:6])[N:7]([C@@:8]([C:9]([S:10][H:62])([H:63])[H:64])([C:11](=[O:12])[N:17]([C@@:18]([C:19]([O:20][H:55])([H:56])[H:57])([C:21](=[O:22])[O:23][H:58])[H:59])[H:60])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([C:14](=[O:15])[O:16][H:72])[H:73])([H:74])[H:75].[O:13]([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:65].[H][O:46][P:47](=[O:48])([O:49][H:81])[O:50][H:82]