Dimethylformamide → 2-[2-(4-Chloro-2-fluoro-phenyl)-acetylamino]-benzothiazole-6-carboxylic acid (2-oxo-2,3-dihydro-benzooxazol-6-yl)-amide

HRID 2313053Notes

Reaction equation

HRID 2313053 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([F:24])[c:5]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[s:13][c:14]3[c:15]([n:16]2)[cH:17][cH:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]3)[cH:6][cH:7]1.[NH2:25][c:26]1[cH:27][c:28]2[c:29]([nH:30][c:31](=[O:33])[o:32]2)[cH:34][cH:35]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[Cl:1][c:2]1[cH:3][c:4]([F:24])[c:5]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[s:13][c:14]3[c:15]([n:16]2)[cH:17][cH:18][c:19]([C:21](=[O:22])[NH:25][c:26]2[cH:27][c:28]4[c:29]([nH:30][c:31](=[O:33])[o:32]4)[cH:34][cH:35]2)[cH:20]3)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 8269896-amino-1,3-benzoxazol-2(3H)-oneHCID 866613822-[2-(4-Chloro-2-fluoro-phenyl)-acetylamino]-benzothiazole-6-carboxylic acid

Product 1

HCID 469405482-[2-(4-Chloro-2-fluoro-phenyl)-acetylamino]-benzothiazole-6-carboxylic acid (2-oxo-2,3-dihydro-benzooxazol-6-yl)-amide

Sources & evidence

ORD record
ord-0dfd33c078ab4e459dafb3ef91da5af9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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