SMIRKS
[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:56]):[C:17]([H:57]):[C:18]([O: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:66].[N:25]([C:26]1:[N:27]:[C:28]([H:76]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:77]):[N:34]:2[C@:35]1([H:78])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:79])[O:43][P:44](=[O:45])([O:46][H:80])[O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82])([H:83])[H:84])([H:85])[C@:52]([O:53][H:86])([H:87])[C@:54]1([O:55][H:88])[H:89])([H:90])[H:91]>>[H]OC(=O)[C@@]([H])(N([H])[C:22]([C@@:13]([N:12]([H:65])[H:66])([C:14]([C:15]1:[C:16]([H:56]):[C:17]([H:57]):[C:18]([O:19][H:58]):[C:20]([H:59]):[C:21]:1[H:60])([H:61])[H:62])[H:64])=[O:23])C([H])([H])C1:N:C([H]):N([H]):C:1[H].[O:24]([P:44]([O:43][P:40]([O:39][C:38]([C@@:37]1([H:85])[O:36][C@:35]([N:34]2:[C:30]3:[N:29]:[C:28]([H:76]):[N:27]:[C:26]([N:25]([H:90])[H:91]):[C:31]:3:[N:32]:[C:33]:2[H:77])([H:78])[C@@:54]([O:55][H:88])([H:89])[C@@:52]1([O:53][H:86])[H:87])([H:83])[H:84])(=[O:41])[O:42][H:79])(=[O:45])[O:46][H:80])[H:63].[H][O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82]
Derived Operators
EVODEX.1-F210 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 3 |
| H | 9 |
EVODEX.1-M71 - Mass Difference
155.06957
EVODEX.1-E916 - Reaction Operator E
[#6:8](-[#6@:6])(=[#8:9])-[#8:10]-[H:64].([#8:40]-[#15:41](=[#8:42])(-[#8:43])-[#8:44]-[#15:45].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:87])-[#6@:51](-[#6@:32])(-[#8:52])-[H:89])>>[#6:8](-[#6@:6])(=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:10](-[#15:41](-[#8:40])(=[#8:42])-[#8:43])-[H:64].[#8:52]-[#6@:51](-[#6@:32])(-[H:89])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:87]).[#8:44](-[#15:45])-[H]
EVODEX.1-C795 - Reaction Operator C
[#6:22]-[#8:24].([#15:44]-[#8:47].[#6@:52]-[#6@:54])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:22])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].([#8:24]-[#15:44].[#6@@:54]-[#6@@:52]).[H]-[#8:47]
EVODEX.1-N1006 - Reaction Operator N
[#6:22](-[#6@@:13])(=[#8:23])-[#8:24]-[H:63].([#8:43]-[#15:44](=[#8:45])(-[#8:46])-[#8:47]-[#15:48].[#8:53]-[#6@@:52](-[#6@@:37])(-[H:87])-[#6@:54](-[#6@:35])(-[#8:55])-[H:89])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:22](-[#6@@:13])=[#8:23])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].([#8:24](-[#15:44](-[#8:43])(=[#8:45])-[#8:46])-[H:63].[#8:55]-[#6@:54](-[#6@:35])(-[H:89])-[#6@@:52](-[#6@@:37])(-[#8:53])-[H:87]).[H]-[#8:47]-[#15:48]
EVODEX.1-Em24 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
EVODEX.1-Cm38 - Reaction Operator Cm
[#6:42]-[#8:44].[#15:72]-[#8:75]>>[#7]-[#6:42].[#8:44]-[#15:72].[H]-[#8:75]
EVODEX.1-Nm24 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7817
[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:56]):[C:17]([H:57]):[C:18]([O: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:66].[H][N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:67]):[N:6]([H:68]):[C:7]([H:69]):[N:8]:1)([H:70])[H:71])([C:9](=[O:10])[O:11][H:72])[H:73])[H:74].[N:25]([C:26]1:[N:27]:[C:28]([H:76]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:77]):[N:34]:2[C@:35]1([H:78])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:79])[O:43][P:44](=[O:45])([O:46][H:80])[O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82])([H:83])[H:84])([H:85])[C@:52]([O:53][H:86])([H:87])[C@:54]1([O:55][H:88])[H:89])([H:90])[H:91]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:67]):[N:6]([H:68]):[C:7]([H:69]):[N:8]:1)([H:70])[H:71])([C:9](=[O:10])[O:11][H:72])[H:73])([C:22]([C@@:13]([N:12]([H:65])[H:66])([C:14]([C:15]1:[C:16]([H:56]):[C:17]([H:57]):[C:18]([O:19][H:58]):[C:20]([H:59]):[C:21]:1[H:60])([H:61])[H:62])[H:64])=[O:23])[H:74].[O:24]([P:44]([O:43][P:40]([O:39][C:38]([C@@:37]1([H:85])[O:36][C@:35]([N:34]2:[C:30]3:[N:29]:[C:28]([H:76]):[N:27]:[C:26]([N:25]([H:90])[H:91]):[C:31]:3:[N:32]:[C:33]:2[H:77])([H:78])[C@@:54]([O:55][H:88])([H:89])[C@@:52]1([O:53][H:86])[H:87])([H:83])[H:84])(=[O:41])[O:42][H:79])(=[O:45])[O:46][H:80])[H:63].[H][O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82]