SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([C:14](=[O:15])[C@:16]([C:17]([C:18]2:[C:19]([H:70]):[C:20]([H:71]):[C:21]([O:22][H:72]):[C:23]([H:73]):[C:24]:2[H:74])([H:75])[H:76])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:77])[H:78])=[O:32])([H:79])[H:80])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39](=[O:40])[O:41][H:81])([H:82])[H:83])([H:84])[H:85])([N:42]([C:43](=[O:44])[C@@:45]([N:46]([H:86])[H:87])([C:47]([O:48][H:88])([H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[H:96])[H:97])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:59][H:116]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:70]):[C:20]([H:71]):[C:21]([O:22][H:72]):[C:23]([H:73]):[C:24]:1[H:74])([H:75])[H:76])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:77])[H:78])=[O:32])([H:79])[H:80])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39](=[O:40])[O:41][H:81])([H:82])[H:83])([H:84])[H:85])([N:42]([C:43](=[O:44])[C@@:45]([N:46]([H:86])[H:87])([C:47]([O:48][H:88])([H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[O:59][H:116]
Derived Operators
EVODEX.1-F534 - Elemental Balance
| O | -4 |
| C | -16 |
| N | -3 |
| H | -29 |
EVODEX.1-M506 - Mass Difference
-327.21597
EVODEX.1-E1353 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:14](=[#8:15])-[#6@:16])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:55](-[H:113])-[H]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:55]-[H:113]
EVODEX.1-C665 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:54]>>[#6:14]-[#8:54]
EVODEX.1-N822 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14](=[#8:15])-[#6@@:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:54]-[H:117]>>[#6:14](=[#8:15])(-[#6@@:16])-[#8:54]-[H:117]
EVODEX.1-Em52 - Reaction Operator Em
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
EVODEX.1-Nm59 - Reaction Operator Nm
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
Source Full Reactions
EVODEX.1-R6066
[C:1]([C:2]([C@:3]([C:4]([H:60])([H:61])[H:62])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:63])[C:10]([H:64])([H:65])[C:11]([H:66])([H:67])[C:12]([H:68])([H:69])[N:13]1[C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:70]):[C:20]([H:71]):[C:21]([O:22][H:72]):[C:23]([H:73]):[C:24]:1[H:74])([H:75])[H:76])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:77])[H:78])=[O:32])([H:79])[H:80])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39](=[O:40])[O:41][H:81])([H:82])[H:83])([H:84])[H:85])([N:42]([C:43](=[O:44])[C@@:45]([N:46]([H:86])[H:87])([C:47]([O:48][H:88])([H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[H:98])([C:49](=[O:50])[N:51]([C@:52]([C:53](=[O:54])[O:55][H:99])([C:56]([C:57]([H:100])([H:101])[H:102])([C:58]([H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([H:111])[H:112])([H:113])([H:114])[H:115].[H][O:59][H:116]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:70]):[C:20]([H:71]):[C:21]([O:22][H:72]):[C:23]([H:73]):[C:24]:1[H:74])([H:75])[H:76])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:77])[H:78])=[O:32])([H:79])[H:80])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39](=[O:40])[O:41][H:81])([H:82])[H:83])([H:84])[H:85])([N:42]([C:43](=[O:44])[C@@:45]([N:46]([H:86])[H:87])([C:47]([O:48][H:88])([H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[O:59][H:116].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:113])([H:114])[H:115])([H:111])[H:112])([C:4]([H:60])([H:61])[H:62])[H:110])([C:49](=[O:50])[N:51]([C@:52]([C:53](=[O:54])[O:55][H:99])([C:56]([C:57]([H:100])([H:101])[H:102])([C:58]([H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:98])=[O:8])([H:63])[C:10]([H:64])([H:65])[C:11]([H:66])([H:67])[C:12]1([H:68])[H:69]