Ethanolamine → HCID 178473211, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:46][CH3:47])[CH2:8][CH:9]([NH:20][c:21]2[n:22][c:23]([S:42]([CH3:43])(=[O:44])=[O:45])[n:24][cH:25][c:26]2[CH2:27][c:28]2[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][N:60]1[CH2:61][CH2:62][N:63]([CH3:64])[C:65]1=[O:66].[NH2:48][CH2:49][CH2:50][OH:51].[OH2:52]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:46][CH3:47])[CH2:8][CH:9]([NH:20][c:21]2[n:22][c:23]([NH:48][CH2:49][CH2:50][OH:51])[n:24][cH:25][c:26]2[CH2:27][c:28]2[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21Participants
6
Sources & evidence
- ORD record
- ord-5cbc959e90954c22aa1b1d0515e7b1a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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