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Acetic Acid → 2-(2-(4-(1-(methylamino)ethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

HRID 168932
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HRID 168932 반응식
[C:10]([CH3:11])(=[O:12])[c:13]1[c:14]([C:34]([F:35])([F:36])[F:37])[n:15][n:16]([CH2:18][C:19](=[O:20])[NH:21][c:22]2[c:23]([C:31](=[O:32])[NH2:33])[c:24]3[c:25]([s:26]2)[CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:17]1.[CH2:5]1[O:6][CH2:7][CH2:8][CH2:9]1.[CH3:1][OH:2].[CH3:38][C:39](=[O:40])[OH:41].[CH3:3][NH2:4]>>[CH3:3][NH:4][CH:10]([CH3:11])[c:13]1[c:14]([C:34]([F:35])([F:36])[F:37])[n:15][n:16]([CH2:18][C:19](=[O:20])[NH:21][c:22]2[c:23]([C:31](=[O:32])[NH2:33])[c:24]3[c:25]([s:26]2)[CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:17]1
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HCID 176Acetic AcidHCID 887MethanolHCID 6329MethylamineHCID 8028TetrahydrofuranHCID 595205152-(2-(4-acetyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

생성물 1

HCID 59520524
2-(2-(4-(1-(methylamino)ethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

출처 및 근거

ORD 기록
ord-29e9b90bc4e94481b15b425535afd212
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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