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Tetrahydrofuran → Tert-butyl 1-[2-[4-bromo-2-(3-fluorophenyl)sulfanylphenoxy]ethyl]pyrrolidine-2-carboxylate

HRID 676451
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HRID 676451 반응식
[Br:1][c:2]1[cH:3][c:4]([S:9][c:10]2[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]2)[c:5]([OH:8])[cH:6][cH:7]1.[C:48]([CH3:49])([CH3:50])([CH3:51])[O:52][C:53](=[O:54])[CH:55]1[N:56]([CH2:60][CH2:61][OH:62])[CH2:57][CH2:58][CH2:59]1.[CH3:68][CH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH3:74].[O:36]=[C:37]([O:38][CH2:39][CH3:40])[N:41]=[N:42][C:43]([O:44][CH2:45][CH3:46])=[O:47].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[Br:1][c:2]1[cH:3][c:4]([S:9][c:10]2[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]2)[c:5]([O:8][CH2:61][CH2:60][N:56]2[CH:55]([C:53]([O:52][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:54])[CH2:59][CH2:58][CH2:57]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 8028TetrahydrofuranHCID 8900HeptaneHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 69006387HCID 69006387, 화합물HCID 69007907HCID 69007907, 화합물

생성물 1

HCID 69006961
Tert-butyl 1-[2-[4-bromo-2-(3-fluorophenyl)sulfanylphenoxy]ethyl]pyrrolidine-2-carboxylate

출처 및 근거

ORD 기록
ord-da9816d88e994151b7c192158d7396c9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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