Tetrahydrofuran → Rac-Efavirenz

반응식

[C:20](=[O:21])([n:22]1[cH:23][cH:24][n:25][cH:26]1)[n:27]1[cH:28][cH:29][n:30][cH:31]1.[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[NH2:1][c:2]1[c:3]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]#[C:15][CH:16]2[CH2:17][CH2:18]2)[OH:19])[cH:4][c:5]([Cl:8])[cH:6][cH:7]1>>[NH:1]1[c:2]2[c:3]([cH:4][c:5]([Cl:8])[cH:6][cH:7]2)[C:9]([C:10]([F:11])([F:12])[F:13])([C:14]#[C:15][CH:16]2[CH2:17][CH2:18]2)[O:19][C:20]1=[O:21]

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 682631,1'-Carbonyldiimidazole

HCID 98389352-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol

생성물 1

HCID 3203Rac-Efavirenz

출처 및 근거

ORD 기록: ord-305902306f404fbdae99d09f29278135
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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