Ethanolamine → HCID 54511849, compound
Reaction equation
[Cl:1][c:2]1[n:3][c:4]([NH:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH:51]2[CH2:52][C:53]([CH3:66])([CH3:67])[N:54]([O:59][CH:60]3[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]3)[C:55]([CH3:57])([CH3:58])[CH2:56]2)[n:5][c:6]([NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH:21]2[CH2:22][C:23]([CH3:36])([CH3:37])[N:24]([O:29][CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[C:25]([CH3:27])([CH3:28])[CH2:26]2)[n:7]1.[NH2:68][CH2:69][CH2:70][OH:71]>>[c:2]1([NH:68][CH2:69][CH2:70][OH:71])[n:3][c:4]([NH:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH:51]2[CH2:52][C:53]([CH3:66])([CH3:67])[N:54]([O:59][CH:60]3[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]3)[C:55]([CH3:57])([CH3:58])[CH2:56]2)[n:5][c:6]([NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH:21]2[CH2:22][C:23]([CH3:36])([CH3:37])[N:24]([O:29][CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[C:25]([CH3:27])([CH3:28])[CH2:26]2)[n:7]1Participants
3
Sources & evidence
- ORD record
- ord-ef5d8427d74d425a9e2bf42b040d019e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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