Ethanol → Dasatinib Carboxylic Acid Ethyl Ester

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 207112Ethyl piperazine-1-acetate

HCID 112694102-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

생성물 1

HCID 57940725Dasatinib Carboxylic Acid Ethyl Ester

출처 및 근거

ORD 기록: ord-11d51c47e71e4b8bbb135cea7411bcdf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…