4-Chlorophthalic anhydride → 4-(5-Chloro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile

반응식

[Cl:17][c:18]1[cH:19][c:20]2[c:24]([cH:25][cH:26]1)[C:23](=[O:27])[O:22][C:21]2=[O:28].[NH2:1][CH:2]1[CH:3]([OH:16])[C:4]([CH3:14])([CH3:15])[O:5][c:6]2[cH:7][cH:8][c:9]([C:12]#[N:13])[cH:10][c:11]21>>[N:1]1([CH:2]2[CH:3]([OH:16])[C:4]([CH3:14])([CH3:15])[O:5][c:6]3[cH:7][cH:8][c:9]([C:12]#[N:13])[cH:10][c:11]32)[C:21](=[O:28])[c:20]2[cH:19][c:18]([Cl:17])[cH:26][cH:25][c:24]2[C:23]1=[O:22]

참가 물질

반응물 2

HCID 670444-Chlorophthalic anhydride

HCID 33905134-Amino-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile

생성물 1

HCID 667000584-(5-Chloro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile

출처 및 근거

ORD 기록: ord-7dc7c9c3127941c9bfa067d2f18f1c48
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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