Acetic Acid → 7-benzenesulfonyl-4-pyrrolidin-3-yl-3,4-dihydro-2H-benzo[1,4]oxazine

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 702Ethanol

HCID 586415207-Benzenesulfonyl-4-(1-benzyl-pyrrolidin-3-yl)-3,4-dihydro-2H-benzo[1,4]oxazine

생성물 1

HCID 116098757-benzenesulfonyl-4-pyrrolidin-3-yl-3,4-dihydro-2H-benzo[1,4]oxazine

출처 및 근거

ORD 기록: ord-f040334d079f40918ad7fe9c95ec13e7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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