SMIRKS
[H][N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:68])([H:69])[H:70])([C:7](=[O:8])[O:9][H:71])[H:72])[H:73]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:68])([H:69])[H:70])([C:7](=[O:8])[O:9][H:71])[H:72])[H:73])N([H])[H]):C([H]):N:2[H]
Derived Operators
EVODEX.1-F198 - Elemental Balance
| O | 1 |
| C | 11 |
| N | 2 |
| H | 10 |
EVODEX.1-M276 - Mass Difference
186.0794
EVODEX.1-E899 - Reaction Operator E
[#7:1](-[#6@@:2])(-[H:59])-[H]>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])-[H])=[#8])-[H:59]
EVODEX.1-C850 - Reaction Operator C
[H]-[#7:1]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H]
EVODEX.1-N1061 - Reaction Operator N
[H]-[#7:1](-[#6@@:2])-[H:59]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:59])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H]
Source Full Reactions
EVODEX.1-R7804
[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:56]):[N:15]([H:57]):[C:16]2:[C:17]([H:58]):[C:18]([H:59]):[C:19]([H:60]):[C:20]([H:61]):[C:21]:1:2)([H:62])[H:63])([C:22](=[O:23])[O:24][H:64])[H:65])([H:66])[H:67].[H][N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:68])([H:69])[H:70])([C:7](=[O:8])[O:9][H:71])[H:72])[H:73].[N:25]([C:26]1:[N:27]:[C:28]([H:75]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:76]):[N:34]:2[C@:35]1([H:77])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:78])[O:43][P:44](=[O:45])([O:46][H:79])[O:47][P:48](=[O:49])([O:50][H:80])[O:51][H:81])([H:82])[H:83])([H:84])[C@:52]([O:53][H:85])([H:86])[C@:54]1([O:55][H:87])[H:88])([H:89])[H:90]>>[N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:68])([H:69])[H:70])([C:7](=[O:8])[O:9][H:71])[H:72])([C:22]([C@@:11]([N:10]([H:66])[H:67])([C:12]([C:13]1:[C:14]([H:56]):[N:15]([H:57]):[C:16]2:[C:17]([H:58]):[C:18]([H:59]):[C:19]([H:60]):[C:20]([H:61]):[C:21]:1:2)([H:62])[H:63])[H:65])=[O:23])[H:73].[O:24]([P:44]([O:43][P:40]([O:39][C:38]([C@@:37]1([H:84])[O:36][C@:35]([N:34]2:[C:30]3:[N:29]:[C:28]([H:75]):[N:27]:[C:26]([N:25]([H:89])[H:90]):[C:31]:3:[N:32]:[C:33]:2[H:76])([H:77])[C@@:54]([O:55][H:87])([H:88])[C@@:52]1([O:53][H:85])[H:86])([H:82])[H:83])(=[O:41])[O:42][H:78])(=[O:45])[O:46][H:79])[H:64].[H][O:47][P:48](=[O:49])([O:50][H:80])[O:51][H:81]