SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:67]):[C:13]([H:68]):[C:14]([H:69]):[C:15]([H:70]):[C:16]:1[H:71])([H:72])[H:73])([N:17]([C:18](=[O:19])[C@:20]1([H:74])[C:21]([H:75])([H:76])[C:22]([H:77])([H:78])[C:23]([H:79])([H:80])[N:24]1[C:25](=[O:26])[C@:27]([C:28]([C:29]([C:30](=[O:31])[O:32][H:81])([H:82])[H:83])([H:84])[H:85])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([C:38](=[O:39])[C@:40]1([H:86])[C:41]([H:87])([H:88])[C:42]([H:89])([H:90])[C:43]([H:91])([H:92])[N:44]1[C:45](=[O:46])[C@@:47]([N:48]([H:93])[H:94])([C:49]([C:50]1:[C:51]([H:95]):[C:52]([H:96]):[C:53]([O:54][H:97]):[C:55]([H:98]):[C:56]:1[H:99])([H:100])[H:101])[H:102])[H:103])([C:57]([C:58]([H:104])([H:105])[H:106])([C:59]([H:107])([H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[H][O:63][H:125]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]1:[C:12]([H:67]):[C:13]([H:68]):[C:14]([H:69]):[C:15]([H:70]):[C:16]:1[H:71])([H:72])[H:73])([N:17]([C:18](=[O:19])[C@:20]1([H:74])[C:21]([H:75])([H:76])[C:22]([H:77])([H:78])[C:23]([H:79])([H:80])[N:24]1[C:25](=[O:26])[C@:27]([C:28]([C:29]([C:30](=[O:31])[O:32][H:81])([H:82])[H:83])([H:84])[H:85])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([C:38](=[O:39])[C@:40]1([H:86])[C:41]([H:87])([H:88])[C:42]([H:89])([H:90])[C:43]([H:91])([H:92])[N:44]1[C:45](=[O:46])[C@@:47]([N:48]([H:93])[H:94])([C:49]([C:50]1:[C:51]([H:95]):[C:52]([H:96]):[C:53]([O:54][H:97]):[C:55]([H:98]):[C:56]:1[H:99])([H:100])[H:101])[H:102])[H:103])([C:57]([C:58]([H:104])([H:105])[H:106])([C:59]([H:107])([H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])[O:63][H:125]
Derived Operators
EVODEX.1-F265 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -1 |
| H | -13 |
EVODEX.1-M88 - Mass Difference
-131.09469
EVODEX.1-E1003 - Reaction Operator E
[#6](-[#6](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](-[#6:8])=[#8:9])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:13](-[H:29])-[H]>>[#6:7](-[#6:8])(=[#8:9])-[#8:13]-[H:29]
EVODEX.1-C594 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:13]>>[#6:7]-[#8:13]
EVODEX.1-N751 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](-[#6:8])=[#8:9])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:13]-[H:29]>>[#6:7](-[#6:8])(=[#8:9])-[#8:13]-[H:29]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5716
[C:1]([C:2]([C@:3]([C:4]([H:64])([H:65])[H:66])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:67]):[C:13]([H:68]):[C:14]([H:69]):[C:15]([H:70]):[C:16]:1[H:71])([H:72])[H:73])([N:17]([C:18](=[O:19])[C@:20]1([H:74])[C:21]([H:75])([H:76])[C:22]([H:77])([H:78])[C:23]([H:79])([H:80])[N:24]1[C:25](=[O:26])[C@:27]([C:28]([C:29]([C:30](=[O:31])[O:32][H:81])([H:82])[H:83])([H:84])[H:85])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([C:38](=[O:39])[C@:40]1([H:86])[C:41]([H:87])([H:88])[C:42]([H:89])([H:90])[C:43]([H:91])([H:92])[N:44]1[C:45](=[O:46])[C@@:47]([N:48]([H:93])[H:94])([C:49]([C:50]1:[C:51]([H:95]):[C:52]([H:96]):[C:53]([O:54][H:97]):[C:55]([H:98]):[C:56]:1[H:99])([H:100])[H:101])[H:102])[H:103])([C:57]([C:58]([H:104])([H:105])[H:106])([C:59]([H:107])([H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])[H:116])([C:60](=[O:61])[O:62][H:117])[H:118])[H:119])([H:120])[H:121])([H:122])([H:123])[H:124].[H][O:63][H:125]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]1:[C:12]([H:67]):[C:13]([H:68]):[C:14]([H:69]):[C:15]([H:70]):[C:16]:1[H:71])([H:72])[H:73])([N:17]([C:18](=[O:19])[C@:20]1([H:74])[C:21]([H:75])([H:76])[C:22]([H:77])([H:78])[C:23]([H:79])([H:80])[N:24]1[C:25](=[O:26])[C@:27]([C:28]([C:29]([C:30](=[O:31])[O:32][H:81])([H:82])[H:83])([H:84])[H:85])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([C:38](=[O:39])[C@:40]1([H:86])[C:41]([H:87])([H:88])[C:42]([H:89])([H:90])[C:43]([H:91])([H:92])[N:44]1[C:45](=[O:46])[C@@:47]([N:48]([H:93])[H:94])([C:49]([C:50]1:[C:51]([H:95]):[C:52]([H:96]):[C:53]([O:54][H:97]):[C:55]([H:98]):[C:56]:1[H:99])([H:100])[H:101])[H:102])[H:103])([C:57]([C:58]([H:104])([H:105])[H:106])([C:59]([H:107])([H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])[O:63][H:125].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:122])([H:123])[H:124])([H:120])[H:121])([C:4]([H:64])([H:65])[H:66])[H:119])([C:60](=[O:61])[O:62][H:117])[H:118])[H:116]