Dimethyl Sulfoxide → Methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1,2,3,4,7,8,11,11a-octahydropyrido[1,2-a]azocine-4-carboxylate

반응식

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

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 6344Dichloromethane

HCID 696598096-allyl-1-(2-tert-butoxycarbonylamino-pent-4-enoyl)-piperidine-2-carboxylic Acid Methyl Ester

생성물 1

HCID 69659967Methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1,2,3,4,7,8,11,11a-octahydropyrido[1,2-a]azocine-4-carboxylate

출처 및 근거

ORD 기록: ord-6404bd16310b461987e4059a1ccb5467
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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