Tetrahydrofuran → 2-[5-(N,N-diethylaminooxycarbonylmethylthio)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione

반응식

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

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 19463Diethylhydroxylamine

HCID 134544942-(5-carboxymethylthio-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione

생성물 1

HCID 571677982-[5-(N,N-diethylaminooxycarbonylmethylthio)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione

출처 및 근거

ORD 기록: ord-d3c2577b6ed34fcfb132e749b18665eb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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