(2e)-3-(2,6-Dichlorophenyl)acrylic acid → 4-Chloro-1'-[3-(2,6-dichlorophenyl)prop-2-enoyl]-2-methylspiro[isoindole-3,4'-piperidine]-1-one

반응식

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

참가 물질

반응물 2

HCID 95321(2e)-3-(2,6-Dichlorophenyl)acrylic acid

HCID 582957967-Chloro-2-methylspiro[isoindoline-1,4'-piperidin]-3-one

생성물 1

HCID 672228764-Chloro-1'-[3-(2,6-dichlorophenyl)prop-2-enoyl]-2-methylspiro[isoindole-3,4'-piperidine]-1-one

출처 및 근거

ORD 기록: ord-e14d7d1047434c8ba82c1743cfba10da
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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