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

HRID 1147536
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HRID 1147536 반응식
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[n:8][n:9]([CH2:14][C:15](=[O:16])[NH:17][c:18]2[c:19]([C:27](=[O:28])[NH:29][CH3:30])[c:20]3[c:21]([s:22]2)[CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:10][c:11]1[CH:12]=[O:13].[CH3:1][NH2:2].[CH3:31][C:32](=[O:33])[OH:34].[Na+:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH3:1][NH:2][CH2:12][c:11]1[c:7]([C:3]([CH3:4])([CH3:5])[CH3:6])[n:8][n:9]([CH2:14][C:15](=[O:16])[NH:17][c:18]2[c:19]([C:27](=[O:28])[NH:29][CH3:30])[c:20]3[c:21]([s:22]2)[CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:10]1
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참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 6228DimethylformamideHCID 6329MethylamineHCID 2724942TriacetoxyborohydrideHCID 595205172-(2-(3-Tert-butyl-4-formyl-1H-pyrazol-1-yl)acetamido)-N-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

생성물 1

HCID 59520501
2-(2-(3-Tert-butyl-4-((methylamino)methyl)-1H-pyrazol-1-yl)acetamido)-N-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

출처 및 근거

ORD 기록
ord-ade0101ae43a465abe535e4af908d239
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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