Pyridine → [5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 3-nitrobenzoate
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:23][cH:24][cH:25][cH:26]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[N+:27](=[O:28])([O-:29])[c:30]1[cH:31][c:32]([C:33](=[O:34])[Cl:35])[cH:36][cH:37][cH:38]1.[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:23][cH:24][cH:25][cH:26]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:14](=[O:17])[CH:15]2[O:16][C:33]([c:32]2[cH:31][c:30]([N+:27](=[O:28])[O-:29])[cH:38][cH:37][cH:36]2)=[O:34])[cH:7][cH:8]1Participants
4
Sources & evidence
- ORD record
- ord-ab633212eaa84fe2b4d8cd636c55478e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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