Ethanolamine → HCID 54521421, compound
Reaction equation
[Cl:1][c:2]1[n:3][c:4]([NH:42][CH2:43][CH2:44][CH2:45][CH2:46][CH:47]2[CH2:48][C:49]([CH3:74])([CH3:75])[N:50]([O:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73])[C:51]([CH3:53])([CH3:54])[CH2:52]2)[n:5][c:6]([NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]2[CH2:14][C:15]([CH3:40])([CH3:41])[N:16]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[C:17]([CH3:19])([CH3:20])[CH2:18]2)[n:7]1.[NH2:76][CH2:77][CH2:78][OH:79]>>[c:2]1([NH:76][CH2:77][CH2:78][OH:79])[n:3][c:4]([NH:42][CH2:43][CH2:44][CH2:45][CH2:46][CH:47]2[CH2:48][C:49]([CH3:74])([CH3:75])[N:50]([O:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73])[C:51]([CH3:53])([CH3:54])[CH2:52]2)[n:5][c:6]([NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]2[CH2:14][C:15]([CH3:40])([CH3:41])[N:16]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[C:17]([CH3:19])([CH3:20])[CH2:18]2)[n:7]1Participants
3
Sources & evidence
- ORD record
- ord-200a5ae0d7fb4d898e747e5a76fa27b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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