Isopropanol → 1-[N-benzyl-2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-(thiazol-2-yl)-phenoxy]-2-propanol
Reaction equation
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[NH:24][CH2:25][CH2:26][O:27][c:28]1[cH:29][cH:30][c:31]([OH:37])[c:32]([C:33](=[O:34])[NH2:35])[cH:36]1.[CH:38]([OH:39])([CH3:40])[CH3:41].[O:1]1[CH:2]([CH2:3][O:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[s:12][cH:13][cH:14][n:15]3)[cH:9][cH:10]2)[CH2:16]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[s:12][cH:13][cH:14][n:15]2)[cH:9][cH:10]1)[CH2:16][N:24]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:25][CH2:26][O:27][c:28]1[cH:29][cH:30][c:31]([OH:37])[c:32]([C:33](=[O:34])[NH2:35])[cH:36]1Participants
4
Sources & evidence
- ORD record
- ord-78bdeff947684bf2aca90f3816337d29
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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