Methanol → tert-Butyl 4-[N-[2-Acetoxymethyl-4-oxo-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-6-yl]amino]benzoate

HRID 2347085

반응식

HRID 2347085 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[n:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][c:13]2[c:14](=[O:24])[n:15]1[CH2:16][O:17][C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[C:25](=[O:28])[CH2:26][CH2:27]3.[CH3:43][OH:44].[NH2:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:41][cH:42]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[n:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][c:13]2[c:14](=[O:24])[n:15]1[CH2:16][O:17][C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[CH:25]([NH:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:41][cH:42]1)[CH2:26][CH2:27]3

참가 물질

4

반응물 3

HCID 887MethanolHCID 233272Benzoic acid, 4-amino-, 1,1-dimethylethyl esterHCID 227442802-Acetoxymethyl-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-4,6-dione

생성물 1

HCID 22744292tert-Butyl 4-[N-[2-Acetoxymethyl-4-oxo-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-6-yl]amino]benzoate

출처 및 근거

ORD 기록
ord-d9ab598d96ac487c9480b011bc92d306
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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