Water → [2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-[5-(2,3-dihydroxy-propoxy)-2-fluoro-phenyl]-methanone

HRID 307148Notes

Reaction equation

HRID 307148 reaction equation
[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([F:34])[cH:21][cH:22][c:23]([O:25][CH2:26][CH:27]3[O:28][C:29]([CH3:32])([CH3:33])[O:30][CH2:31]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.[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[OH2:42]>>[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([F:34])[cH:21][cH:22][c:23]([O:25][CH2:26][CH:27]([OH:28])[CH2:31][OH:30])[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

4

Reactant 3

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 58677666[2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-[5-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-2-fluoro-phenyl]-methanone

Product 1

HCID 58677685[2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-[5-(2,3-dihydroxy-propoxy)-2-fluoro-phenyl]-methanone

Sources & evidence

ORD record
ord-e63ba7bcd51f44f3bd9f08ad6ebd65ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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