Ethanol → Imatinib

반응식

[CH3:13][N:14]1[CH2:15][CH2:16][N:17]([CH2:20][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][c:28]3[cH:29][c:30]([NH:35][c:36]4[n:37][cH:38][cH:39][c:40](-[c:42]5[cH:43][n:44][cH:45][cH:46][cH:47]5)[n:41]4)[c:31]([CH3:34])[cH:32][cH:33]3)[cH:48][cH:49]2)[CH2:18][CH2:19]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:10]([OH:11])=[O:12])[cH:6][cH:7][c:8]1[OH:9].[CH3:50][CH2:51][OH:52]>>[CH3:13][N:14]1[CH2:15][CH2:16][N:17]([CH2:20][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][c:28]3[cH:29][c:30]([NH:35][c:36]4[n:37][cH:38][cH:39][c:40](-[c:42]5[cH:43][n:44][cH:45][cH:46][cH:47]5)[n:41]4)[c:31]([CH3:34])[cH:32][cH:33]3)[cH:48][cH:49]2)[CH2:18][CH2:19]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:10](=[O:11])[O-:12])[cH:6][cH:7][c:8]1[OH:9]

참가 물질

반응물 3

HCID 702Ethanol

HCID 5291Imatinib

HCID 8468Vanillic Acid

생성물 2

HCID 5291Imatinib

HCID 178492743HCID 178492743, 화합물

출처 및 근거

ORD 기록: ord-47e093f3855d4773a346ca9796786a70
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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