Methanol → Dasatinib Carboxylic Acid

HRID 2314189

Reaction equation

HRID 2314189 reaction equation
[CH3:40][OH:41].[Cl:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[c:12]2[cH:13][n:14][c:15]([NH:17][c:18]3[cH:19][c:20]([N:25]4[CH2:26][CH2:27][N:28]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:29][CH2:30]4)[n:21][c:22]([CH3:24])[n:23]3)[s:16]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[Na+:38].[OH-:37].[OH2:39]>>[Cl:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[c:12]2[cH:13][n:14][c:15]([NH:17][c:18]3[cH:19][c:20]([N:25]4[CH2:26][CH2:27][N:28]([CH2:31][C:32](=[O:33])[OH:34])[CH2:29][CH2:30]4)[n:21][c:22]([CH3:24])[n:23]3)[s:16]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 57940725Dasatinib Carboxylic Acid Ethyl Ester

Product 1

HCID 11854012Dasatinib Carboxylic Acid

Sources & evidence

ORD record
ord-54217a6e7777486287dee730cdde0bec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

Loading…