Tert-Butylamine → N-tert-butyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide

반응식

[C:30]([CH3:31])([CH3:32])([CH3:33])[NH2:34].[O:1]=[C:2]1[CH:3]=[C:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:21]([S:22][c:23]5[cH:24][cH:25][cH:26][cH:27][n:28]5)=[O:29])[C:12]4([CH3:13])[CH2:14][CH2:15][CH:16]3[C:17]2([CH3:20])[CH2:18][CH2:19]1>>[O:1]=[C:2]1[CH:3]=[C:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:21](=[O:29])[NH:34][C:30]([CH3:31])([CH3:32])[CH3:33])[C:12]4([CH3:13])[CH2:14][CH2:15][CH:16]3[C:17]2([CH3:20])[CH2:18][CH2:19]1

참가 물질

반응물 2

HCID 6385Tert-Butylamine

HCID 19084936S-pyridin-2-yl 10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbothioate

생성물 1

HCID 14757092N-tert-butyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide

출처 및 근거

ORD 기록: ord-2d5b26b4eaef40e2a9af3e9b71951785
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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