SMIRKS
[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])([C:21](=[O:22])[O:23][H:62])[H:63])([H:64])[H:65].[N:24]([C:25]1:[N:26]:[C:27]([H:75]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:76]):[N:33]:2[C@:34]1([H:77])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:78])[O:42][P:43](=[O:44])([O:45][H:79])[O:46][P:47](=[O:48])([O:49][H:80])[O:50][H:81])([H:82])[H:83])([H:84])[C@:51]([O:52][H:85])([H:86])[C@:53]1([O:54][H:87])[H:88])([H:89])[H:90]>>[H]OC(=O)[C@@]([H])(N([H])[C:21]([C@@:13]([N:12]([H:64])[H:65])([C:14]([C:15]1:[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])[H:63])=[O:22])C([H])([H])C1:N:C([H]):N([H]):C:1[H].[O:23]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:84])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:75]):[N:26]:[C:25]([N:24]([H:89])[H:90]):[C:30]:3:[N:31]:[C:32]:2[H:76])([H:77])[C@@:53]([O:54][H:87])([H:88])[C@@:51]1([O:52][H:85])[H:86])([H:82])[H:83])(=[O:40])[O:41][H:78])(=[O:44])[O:45][H:79])[H:62].[H][O:46][P:47](=[O:48])([O:49][H:80])[O:50][H:81]
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-R7779
[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])([C:21](=[O:22])[O:23][H:62])[H:63])([H:64])[H:65].[H][N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:66]):[N:6]([H:67]):[C:7]([H:68]):[N:8]:1)([H:69])[H:70])([C:9](=[O:10])[O:11][H:71])[H:72])[H:73].[N:24]([C:25]1:[N:26]:[C:27]([H:75]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:76]):[N:33]:2[C@:34]1([H:77])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:78])[O:42][P:43](=[O:44])([O:45][H:79])[O:46][P:47](=[O:48])([O:49][H:80])[O:50][H:81])([H:82])[H:83])([H:84])[C@:51]([O:52][H:85])([H:86])[C@:53]1([O:54][H:87])[H:88])([H:89])[H:90]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:66]):[N:6]([H:67]):[C:7]([H:68]):[N:8]:1)([H:69])[H:70])([C:9](=[O:10])[O:11][H:71])[H:72])([C:21]([C@@:13]([N:12]([H:64])[H:65])([C:14]([C:15]1:[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])[H:63])=[O:22])[H:73].[O:23]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:84])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:75]):[N:26]:[C:25]([N:24]([H:89])[H:90]):[C:30]:3:[N:31]:[C:32]:2[H:76])([H:77])[C@@:53]([O:54][H:87])([H:88])[C@@:51]1([O:52][H:85])[H:86])([H:82])[H:83])(=[O:40])[O:41][H:78])(=[O:44])[O:45][H:79])[H:62].[H][O:46][P:47](=[O:48])([O:49][H:80])[O:50][H:81]