Ethanol → HCID 135841421, 화합물

HRID 85870노트

반응식

HRID 85870 반응식
[CH3:42][CH2:43][OH:44].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[OH:9].[NH2:10][c:11]1[c:12]([O:40][CH3:41])[cH:13][c:14](-[c:17]2[n:18][n:19]([CH:27]3[CH2:28][CH2:29][CH:30]([N:33]4[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]4)[CH2:31][CH2:32]3)[c:20]3[n:21][cH:22][n:23][c:24]([NH2:26])[c:25]23)[cH:15][cH:16]1>>[CH:1]([c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[OH:9])=[N:10][c:11]1[c:12]([O:40][CH3:41])[cH:13][c:14](-[c:17]2[n:18][n:19]([CH:27]3[CH2:28][CH2:29][CH:30]([N:33]4[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]4)[CH2:31][CH2:32]3)[c:20]3[n:21][cH:22][n:23][c:24]([NH2:26])[c:25]23)[cH:15][cH:16]1

참가 물질

4

반응물 3

HCID 702EthanolHCID 6998SalicylaldehydeHCID 208170343-(4-amino-3-methoxyphenyl)-1-[4-(4-methylpiperazino)-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

생성물 1

HCID 135841421HCID 135841421, 화합물

출처 및 근거

ORD 기록
ord-4fe0864542774af79009afb8050ba70c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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