Benzimidazole → 4-[[4-[4-(Benzimidazol-1-yl)butyl]phenoxy]methyl]-2-(2-phenylethenyl)-1,3-oxazole

반응식

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

참가 물질

반응물 2

HCID 5798Benzimidazole

HCID 540127114-[4-[[2-(2-Phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl methanesulfonate

생성물 1

HCID 537883034-[[4-[4-(Benzimidazol-1-yl)butyl]phenoxy]methyl]-2-(2-phenylethenyl)-1,3-oxazole

출처 및 근거

ORD 기록: ord-d5aaf36f2c5d46b69959a77130bb56f7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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