Water → Toluene-4-sulfonic acid 2-(1-{3-[2-chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-1H-[1,2,3]triazol-4-yl)-ethyl ester

HRID 2318456Notes

Reaction equation

HRID 2318456 reaction equation
[CH3:34][c:35]1[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:39][cH:40]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([CH3:33])[cH:21][cH:22][c:23](-[n:25]3[n:26][n:27][c:28]([CH2:30][CH2:31][OH:32])[cH:29]3)[cH:24]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[c:10]([F:16])[cH:11][c:12]([F:15])[cH:13][cH:14]2)[cH:7]1.[OH2:51].[cH:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1>>[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([CH3:33])[cH:21][cH:22][c:23](-[n:25]3[n:26][n:27][c:28]([CH2:30][CH2:31][O:32][S:41]([c:38]4[cH:37][cH:36][c:35]([CH3:34])[cH:40][cH:39]4)(=[O:42])=[O:43])[cH:29]3)[cH:24]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[c:10]([F:16])[cH:11][c:12]([F:15])[cH:13][cH:14]2)[cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 73974-Toluenesulfonyl chlorideHCID 8857Ethyl AcetateHCID 11712482[2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-{5-[4-(2-hydroxy-ethyl)-[1,2,3]triazol-1-yl]-2-methyl-phenyl}-methanone

Product 1

HCID 86605530Toluene-4-sulfonic acid 2-(1-{3-[2-chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-1H-[1,2,3]triazol-4-yl)-ethyl ester

Sources & evidence

ORD record
ord-7191dc02013a46fba7a74f804bfaf6b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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