Methanol → HCID 11612479, compound

HRID 1568984Notes

Reaction equation

HRID 1568984 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][c:44]([S:45](=[O:46])(=[O:47])[OH:48])[cH:49][cH:50]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH3:58][OH:59].[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([CH3:39])[cH:21][cH:22][c:23](-[c:25]3[n:26][n:27][n:28]([CH2:30][CH2:31][O:32][CH:33]4[CH2:34][CH2:35][CH2:36][CH2:37][O:38]4)[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.[OH2:57]>>[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([CH3:39])[cH:21][cH:22][c:23](-[c:25]3[n:26][n:27][n: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

Participants

6

Reactant 5

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 11706669[2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-(2-methyl-5-{1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-[1,2,3]triazol-4-yl}-phenyl)-methanone

Product 1

HCID 11612479HCID 11612479, compound

Sources & evidence

ORD record
ord-7a142212f1824dd1b44fc9abc8fa5f2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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