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Dimethylformamide → 1'-[1-[4-(2-Amino-1,3-thiazol-4-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

HRID 1565425
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HRID 1565425 반응식
[C:42]12([CH2:43][S:44]([OH:45])(=[O:46])=[O:47])[C:48]([CH3:49])([CH3:50])[CH:51]([CH2:52][CH2:53]1)[CH2:54][C:55]2=[O:56].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[NH2:10][c:11]1[s:12][cH:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([C:22]3([C:25](=[O:26])[OH:27])[CH2:23][CH2:24]3)[cH:20][cH:21]2)[n:15]1.[NH:28]1[CH2:29][C:30]2([O:31][C:32](=[O:39])[c:33]3[c:34]2[cH:35][cH:36][cH:37][cH:38]3)[CH2:40][CH2:41]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[NH2:10][c:11]1[s:12][cH:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([C:22]3([C:25](=[O:27])[N:28]4[CH2:29][C:30]5([O:31][C:32](=[O:39])[c:33]6[c:34]5[cH:35][cH:36][cH:37][cH:38]6)[CH2:40][CH2:41]4)[CH2:23][CH2:24]3)[cH:20][cH:21]2)[n:15]1
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반응물 5

HCID 6228DimethylformamideHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 81531DiisopropylethylamineHCID 215068143H-Spiro[2-benzofuran-1,3'-pyrrolidin]-3-oneHCID 86602277[4-(2-Amino-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxylic acid

생성물 1

HCID 87094917
1'-[1-[4-(2-Amino-1,3-thiazol-4-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

출처 및 근거

ORD 기록
ord-7fae9e7842cd436ba4a2cd78285f81ab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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