Acetaldehyde → HCID 59699297, 화합물

반응식

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

참가 물질

반응물 3

HCID 177Acetaldehyde

HCID 6344Dichloromethane

HCID 59699227[3-(4-{2-(Piperidine-4-ylmethyl)-1-[4-(4-chloro-phenoxy)-phenyl]-1H-imidazol-4-yl}-phenoxy)-propyl]-diethyl-amine

생성물 1

HCID 59699297HCID 59699297, 화합물

출처 및 근거

ORD 기록: ord-b38f4112937c4e5488c521201abd2b60
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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