Tetrahydrofuran → 2-[1-(4-Amino-phenyl)-2,2,2-trifluoro-1-trifluoromethyl-ethoxymethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 102957

반응식

HRID 102957 반응식
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH:26]([CH2:30][OH:31])[CH2:27][CH2:28][CH2:29]1.[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[cH:6][cH:7]1.[O:51]=[C:52]([O:53][CH2:54][CH3:55])[N:56]=[N:57][C:58]([O:59][CH2:60][CH3:61])=[O:62].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[O:17][CH2:30][CH:26]2[N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:29][CH2:28][CH2:27]2)[cH:6][cH:7]1

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 550865tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylateHCID 5778012-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

생성물 1

HCID 865903822-[1-(4-Amino-phenyl)-2,2,2-trifluoro-1-trifluoromethyl-ethoxymethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-a386f21dda7a41a6ae4fc510562cbb70
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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