2-Bromoisonicotinic acid → 2-Bromo-N-(7-[1,4]dioxepan-6-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide
Reaction equation
[Br:20][c:21]1[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][n:29]1.[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH2:17])[s:15][c:16]23)[CH2:7]1.[O:30]1[CH2:31][CH:32]([c:33]2[c:34]3[s:35][c:36]([NH:37][C:38]([c:39]4[s:40][c:41]([CH3:42])[cH:43][cH:44]4)=[O:45])[n:46][c:47]3[c:48]([O:49][CH3:50])[cH:51][cH:52]2)[CH2:53][O:54][CH2:55][CH2:56]1>>[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH:17][C:24]([c:23]4[cH:22][c:21]([Br:20])[n:29][cH:28][cH:27]4)=[O:25])[s:15][c:16]23)[CH2:7]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-5cb1942125d447f3aa411fc0f35f8d77
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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