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]([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]([N:23]([H:65])[H:66])=[O:24])([H:67])[H:68])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([C:31]([H:69])([H:70])[H:71])([C:32]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([H:78])[H:79])([C:38]([O:39][H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88])([C@@:40]([C:41]([H:89])([H:90])[H:91])([C:42]([C:43]([H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])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:54][H:117]>>[C:14](=[O:15])([C@@:16]([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]([N:23]([H:65])[H:66])=[O:24])([H:67])[H:68])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([C:31]([H:69])([H:70])[H:71])([C:32]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([H:78])[H:79])([C:38]([O:39][H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88])([C@@:40]([C:41]([H:89])([H:90])[H:91])([C:42]([C:43]([H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])[O:54][H:117]
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-R6070
[C:1]([C:2]([C@:3]([C:4]([H:55])([H:56])[H:57])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:58])[C:10]([H:59])([H:60])[C:11]([H:61])([H:62])[C:12]([H:63])([H:64])[N:13]1[C:14](=[O:15])[C@@:16]([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]([N:23]([H:65])[H:66])=[O:24])([H:67])[H:68])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([C:31]([H:69])([H:70])[H:71])([C:32]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([H:78])[H:79])([C:38]([O:39][H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88])([C@@:40]([C:41]([H:89])([H:90])[H:91])([C:42]([C:43]([H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])[H:99])([C:44](=[O:45])[N:46]([C@:47]([C:48](=[O:49])[O:50][H:100])([C:51]([C:52]([H:101])([H:102])[H:103])([C:53]([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:116].[H][O:54][H:117]>>[C:14](=[O:15])([C@@:16]([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]([N:23]([H:65])[H:66])=[O:24])([H:67])[H:68])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([C:31]([H:69])([H:70])[H:71])([C:32]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([H:78])[H:79])([C:38]([O:39][H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88])([C@@:40]([C:41]([H:89])([H:90])[H:91])([C:42]([C:43]([H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])[O:54][H:117].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:114])([H:115])[H:116])([H:112])[H:113])([C:4]([H:55])([H:56])[H:57])[H:111])([C:44](=[O:45])[N:46]([C@:47]([C:48](=[O:49])[O:50][H:100])([C:51]([C:52]([H:101])([H:102])[H:103])([C:53]([H:104])([H:105])[H:106])[H:107])[H:108])[H:109])[H:110])[H:99])=[O:8])([H:58])[C:10]([H:59])([H:60])[C:11]([H:61])([H:62])[C:12]1([H:63])[H:64]