2,3-Dimethylbenzaldehyde → [3-(8-Chloro-3-phenylcinnolin-4-yl)phenyl](2,3-dimethylbenzyl)amine

반응식

[CH3:25][c:26]1[c:27]([CH:28]=[O:29])[cH:30][cH:31][cH:32][c:33]1[CH3:34].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](-[c:18]3[cH:19][c:20]([NH2:24])[cH:21][cH:22][cH:23]3)[c:8](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[n:9][n:10][c:11]12>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](-[c:18]3[cH:19][c:20]([NH:24][CH2:28][c:27]4[c:26]([CH3:25])[c:33]([CH3:34])[cH:32][cH:31][cH:30]4)[cH:21][cH:22][cH:23]3)[c:8](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[n:9][n:10][c:11]12

참가 물질

반응물 2

HCID 342242,3-Dimethylbenzaldehyde

HCID 118566993-(8-Chloro-3-phenyl-cinnolin-4-yl)-phenylamine

생성물 1

HCID 11856163[3-(8-Chloro-3-phenylcinnolin-4-yl)phenyl](2,3-dimethylbenzyl)amine

출처 및 근거

ORD 기록: ord-f6159829d4e349ec9bae1809e6818a2f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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