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Dichloromethane → {2-[3-Cyclopentyl-2-(4-trifluoromethanesulfonyl-phenyl)-propionyl-amino]-thiazol-4-yl}-acetic acid ethyl ester

HRID 687582
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HRID 687582 반응식
[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[CH2:63]([Cl:64])[Cl:65].[CH:28]1([CH2:33][CH:34]([C:35](=[O:36])[OH:37])[c:38]2[cH:39][cH:40][c:41]([S:44](=[O:45])(=[O:46])[C:47]([F:48])([F:49])[F:50])[cH:42][cH:43]2)[CH2:29][CH2:30][CH2:31][CH2:32]1.[NH2:51][c:52]1[s:53][cH:54][c:55]([CH2:57][C:58](=[O:59])[O:60][CH2:61][CH3:62])[n:56]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH:28]1([CH2:33][CH:34]([C:35](=[O:37])[NH:51][c:52]2[s:53][cH:54][c:55]([CH2:57][C:58](=[O:59])[O:60][CH2:61][CH3:62])[n:56]2)[c:38]2[cH:39][cH:40][c:41]([S:44](=[O:45])(=[O:46])[C:47]([F:48])([F:49])[F:50])[cH:42][cH:43]2)[CH2:29][CH2:30][CH2:31][CH2:32]1
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반응물 5

HCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 67184N-bromobutanimideHCID 1044544-Thiazoleacetic acid, 2-amino-, ethyl esterHCID 223150923-Cyclopentyl-2-(4-trifluoromethanesulfonyl-phenyl)propionic acid

생성물 1

HCID 20707085
{2-[3-Cyclopentyl-2-(4-trifluoromethanesulfonyl-phenyl)-propionyl-amino]-thiazol-4-yl}-acetic acid ethyl ester

출처 및 근거

ORD 기록
ord-4e3a28db18bf4ed2ade69d2ae47fcb26
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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