2-Methoxyethanol → HCID 68685292, 화합물

반응식

[CH3:1][N:2]([CH3:3])[CH:4]=[CH:5][C:6]([c:7]1[n:8]([CH:9]2[CH2:10][CH2:11][CH2:12]2)[c:13]([CH3:14])[n:15][cH:16]1)=[O:17].[CH3:50][O:51][CH2:52][CH2:53][OH:54].[S:18](=[O:19])(=[O:20])([CH3:21])[N:22]1[CH2:23][CH2:24][N:25]([c:28]2[cH:29][cH:30][c:31]([NH:32][c:33]3[n:34][cH:35][cH:36][c:37](-[c:39]4[cH:40][n:41][c:42]([CH3:47])[n:43]4[CH:44]([CH3:45])[CH3:46])[n:38]3)[cH:48][cH:49]2)[CH2:26][CH2:27]1>>[CH2:1]1[CH2:45][CH:44]([n:43]2[c:39](-[c:37]3[cH:36][cH:35][n:34][c:33]([NH:32][c:31]4[cH:30][cH:29][c:28]([N:25]5[CH2:24][CH2:23][N:22]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:27][CH2:26]5)[cH:49][cH:48]4)[n:38]3)[cH:40][n:41][c:42]2[CH3:47])[CH2:46]1

참가 물질

반응물 3

HCID 80192-Methoxyethanol

HCID 445785702-[4-(4-Mesylpiperazin-1-yl)anilino]-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine

HCID 67037586HCID 67037586, 화합물

생성물 1

HCID 68685292HCID 68685292, 화합물

출처 및 근거

ORD 기록: ord-62b3575323084f5ba35b0d845aed905b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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