5-Methylthiophene-2-carboxylic acid → 5-Methyl-thiophene-2-carboxylic acid (7-[1,4]dioxepan-6-yl-4-methoxy-benzothiazol-2-yl)-amide
Reaction equation
[CH3:20][c:21]1[cH:22][cH:23][c:24]([C:26](=[O:27])[OH:28])[s:25]1.[CH3:29][O:30][c:31]1[c:32]2[n:33][c:34]([NH:35][C:36](=[O:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[s:44][c:45]2[c:46](-[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54]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: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:26]([c:24]4[cH:23][cH:22][c:21]([CH3:20])[s:25]4)=[O:27])[s:15][c:16]23)[CH2:7]1Participants
4
Sources & evidence
- ORD record
- ord-d72151e35bd7446abd28ddd0de7d6d57
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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