Dichloromethane → CP-533,536 metabolite M4

HRID 2154605Notes

Reaction equation

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

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 69731661(3-{[[4-(2-Hydroxy-1,1-dimethyl-ethyl)-benzyl]-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid tert-butyl ester

Product 1

HCID 9956982CP-533,536 metabolite M4

Sources & evidence

ORD record: ord-85f0e2252eed47f08cefdb36407fd0f9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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