Acetic Acid → 4-Hydroxy-7-({[6-(4-phenylbutoxy)hexyl]amino}acetyl)-1,3-benzothiazol-2(3H)-one
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:15][CH2:16][CH2:17][CH2:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][c:32]([OH:39])[c:33]2[nH:34][c:35](=[O:38])[s:36][c:37]12.[CH3:40][CH2:41][OH:42].[CH3:43][C:44](=[O:45])[OH:46]>>[NH:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:15][CH2:16][CH2:17][CH2:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][c:32]([OH:39])[c:33]2[nH:34][c:35](=[O:38])[s:36][c:37]12Participants
4
Sources & evidence
- ORD record
- ord-d08c78b96534496282e665306ee64bbb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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