Ammonium → 5-(Tetrahydro-pyran-4-yl)-6-trifluoromethyl-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([C:23]([F:24])([F:25])[F:26])[c:13]([C:17]3=[CH:22][CH2:21][O:20][CH2:19][CH2:18]3)[cH:14][c:15]2[CH2:16]1.[CH:27]([O-:28])=[O:29].[NH4+:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([C:23]([F:24])([F:25])[F:26])[c:13]([CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[cH:14][c:15]2[CH2:16]1

참가 물질

반응물 3

HCID 223Ammonium

HCID 283Formate

HCID 57753653HCID 57753653, 화합물

생성물 1

HCID 577532945-(Tetrahydro-pyran-4-yl)-6-trifluoromethyl-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-8e5c68d7b9ef48c99ddd65960e7859db
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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