O-Xylene → N-phenyl-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-carbazole-3,4-dicarboximide

반응식

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

참가 물질

반응물 3

HCID 7237O-Xylene

HCID 13662N-Phenylmaleimide

HCID 198087192-[1-(2,4-Dichlorophenyl)vinyl]indole

생성물 1

HCID 19808687N-phenyl-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-carbazole-3,4-dicarboximide

출처 및 근거

ORD 기록: ord-6df9703ae37b43a0b556d48d8e7a88d6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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