Toluene → 2-(2,4-dichlorophenyl)-5-[3-(dimethylamino)prop-2-enoyl]-1H-pyrrole-3-carbonitrile

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 87682N,N,N-trimethyl-1,1-bis(1-methylethoxy)amine

HCID 462215555-Acetyl-2-(2,4-dichloro-phenyl)-1h-pyrrole-3-carbonitrile

생성물 1

HCID 669166882-(2,4-dichlorophenyl)-5-[3-(dimethylamino)prop-2-enoyl]-1H-pyrrole-3-carbonitrile

출처 및 근거

ORD 기록: ord-69c8471648494a25ab1bc8130c7cbee4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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