EVODEX.1-P7257 - Partial Reaction

SMIRKS

[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([C:7](=[O:8])[O:9][H:55])[H:56])[H:53]>>[H]C1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([C:7](=[O:8])[O:9][H:55])[H:56])[H:53])N([H])[H]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F191 - Elemental Balance

C	9
O	1
N	1
H	9

EVODEX.1-M125 - Mass Difference

147.06847

EVODEX.1-E888 - Reaction Operator E

[#7:1](-[#6@@:2])(-[H:56])-[H]>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:56]

EVODEX.1-C580 - Reaction Operator C

[H]-[#7:1]>>[H]-[#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-N736 - Reaction Operator N

[H]-[#7:1](-[#6@@:2])-[H:80]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:80])-[#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-R7783

[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([C:7](=[O:8])[O:9][H:55])[H:56])[H:53].[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:64]):[C:15]([H:65]):[C:16]([H:66]):[C:17]([H:67]):[C:18]:1[H:68])([H:69])[H:70])([C:19](=[O:20])[O:21][H:71])[H:72])([H:73])[H:74].[N:22]([C:23]1:[N:24]:[C:25]([H:75]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:76]):[N:31]:2[C@:32]1([H:77])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:78])[O:40][P:41](=[O:42])([O:43][H:79])[O:44][P:45](=[O:46])([O:47][H:80])[O:48][H:81])([H:82])[H:83])([H:84])[C@:49]([O:50][H:85])([H:86])[C@:51]1([O:52][H:87])[H:88])([H:89])[H:90]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:19]([C@@:11]([N:10]([H:73])[H:74])([C:12]([C:13]1:[C:14]([H:64]):[C:15]([H:65]):[C:16]([H:66]):[C:17]([H:67]):[C:18]:1[H:68])([H:69])[H:70])[H:72])=[O:20])[H:53])([C:7](=[O:8])[O:9][H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[O:21]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:84])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:75]):[N:24]:[C:23]([N:22]([H:89])[H:90]):[C:28]:3:[N:29]:[C:30]:2[H:76])([H:77])[C@@:51]([O:52][H:87])([H:88])[C@@:49]1([O:50][H:85])[H:86])([H:82])[H:83])(=[O:38])[O:39][H:78])(=[O:42])[O:43][H:79])[H:71].[H][O:44][P:45](=[O:46])([O:47][H:80])[O:48][H:81]