Ethanolamine → HCID 76567905, compound
Reaction equation
[CH3:36][N:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([C:29](=[CH2:30])[CH3:31])[N:13]([CH2:25][C:26](=[O:27])[F:28])[C:14](=[O:24])[CH2:15][CH:16]1[c:17]1[cH:18][c:19]([Cl:23])[cH:20][cH:21][cH:22]1.[NH2:32][CH2:33][CH2:34][OH:35].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([C:29](=[CH2:30])[CH3:31])[N:13]([CH2:25][C:26](=[O:27])[NH:32][CH2:33][CH2:34][OH:35])[C:14](=[O:24])[CH2:15][CH:16]1[c:17]1[cH:18][c:19]([Cl:23])[cH:20][cH:21][cH:22]1Participants
6
Sources & evidence
- ORD record
- ord-c428f0ac8f77463f9eba6374c2bca37d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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