EVODEX.1-P7145 - Partial Reaction

SMIRKS

[H][N:13]([C@:14]([C:15]([C:16]1:[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]([H:59]):[C:21]:1[H:60])([H:61])[H:62])([C:22](=[O:23])[O:24][H:63])[H:64])[H:65]>>[H]C1:C([H]):C([H]):C(C([H])([H])[C@]([H])(C(=O)[N:13]([C@:14]([C:15]([C:16]2:[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]([H:59]):[C:21]:2[H:60])([H:61])[H:62])([C:22](=[O:23])[O:24][H:63])[H:64])[H:65])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-R7728

[H][N:13]([C@:14]([C:15]([C:16]1:[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]([H:59]):[C:21]:1[H:60])([H:61])[H:62])([C:22](=[O:23])[O:24][H:63])[H:64])[H:65].[N:1]([C@:2]([C:3]([C:4]1:[C:5]([H:67]):[C:6]([H:68]):[C:7]([H:69]):[C:8]([H:70]):[C:9]:1[H:71])([H:72])[H:73])([C:10](=[O:11])[O:12][H:74])[H:75])([H:76])[H:77].[N:25]([C:26]1:[N:27]:[C:28]([H:78]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:79]):[N:34]:2[C@:35]1([H:80])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:81])[O:43][P:44](=[O:45])([O:46][H:82])[O:47][P:48](=[O:49])([O:50][H:83])[O:51][H:84])([H:85])[H:86])([H:87])[C@:52]([O:53][H:88])([H:89])[C@:54]1([O:55][H:90])[H:91])([H:92])[H:93]>>[N:1]([C@:2]([C:3]([C:4]1:[C:5]([H:67]):[C:6]([H:68]):[C:7]([H:69]):[C:8]([H:70]):[C:9]:1[H:71])([H:72])[H:73])([C:10](=[O:11])[N:13]([C@:14]([C:15]([C:16]1:[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]([H:59]):[C:21]:1[H:60])([H:61])[H:62])([C:22](=[O:23])[O:24][H:63])[H:64])[H:65])[H:75])([H:76])[H:77].[O:12]([P:44]([O:43][P:40]([O:39][C:38]([C@@:37]1([H:87])[O:36][C@:35]([N:34]2:[C:30]3:[N:29]:[C:28]([H:78]):[N:27]:[C:26]([N:25]([H:92])[H:93]):[C:31]:3:[N:32]:[C:33]:2[H:79])([H:80])[C@@:54]([O:55][H:90])([H:91])[C@@:52]1([O:53][H:88])[H:89])([H:85])[H:86])(=[O:41])[O:42][H:81])(=[O:45])[O:46][H:82])[H:74].[H][O:47][P:48](=[O:49])([O:50][H:83])[O:51][H:84]