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Hydrochloric Acid → 2-[2-(5-{[6-(Methylsulfonyl)pyridin-3-yl]oxy}-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide

HRID 1209648
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HRID 1209648 반응식
[CH2:42]([N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51])[CH3:52].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21]4=[N:25][CH2:24][CH:23]([CH2:26][C:27](=[O:28])[OH:29])[S:22]4)[nH:17][c:18]3[cH:19][cH:20]2)[cH:9][n:10]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:41].[F:53][C:54]([CH2:55][NH2:56])([F:57])[F:58].[OH2:30].[OH2:64].[OH:31][n:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21]4=[N:25][CH2:24][CH:23]([CH2:26][C:27](=[O:29])[NH:56][CH2:55][C:54]([F:53])([F:57])[F:58])[S:22]4)[nH:17][c:18]3[cH:19][cH:20]2)[cH:9][n:10]1
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참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962Water2회HCID 6228DimethylformamideHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 58081046HCID 58081046, 화합물

생성물

1
HCID 667261902-[2-(5-{[6-(Methylsulfonyl)pyridin-3-yl]oxy}-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide

출처 및 근거

ORD 기록
ord-a582410a119b4007b1d250542fc69bbd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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