Dichloromethane → 4'-{[4-(4-Formylbenzyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

반응식

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

참가 물질

반응물 2

HCID 6344Dichloromethane

HCID 670093144'-({4-[4-Hydroxymethylbenzyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

생성물 1

HCID 866440254'-{[4-(4-Formylbenzyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

출처 및 근거

ORD 기록: ord-ead372e3bacb4e9b8a63892840086513
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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