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Bicarbonate Ion → 2-(2-(4-acetyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

HRID 297474
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HRID 297474 반응식
[C:41](=[O:42])([OH:43])[O-:44].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[Cl:51][CH2:52][Cl:53].[Na+:39].[Na+:40].[Na+:45].[OH2:29].[OH2:30].[OH2:31].[OH2:32].[OH2:33].[OH2:54].[OH:1][CH:2]([CH3:3])[c:4]1[c:5]([C:25]([F:26])([F:27])[F:28])[n:6][n:7]([CH2:9][C:10](=[O:11])[NH:12][c:13]2[c:14]([C:22](=[O:23])[NH2:24])[c:15]3[c:16]([s:17]2)[CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:8]1.[S:34]([O-:35])([O-:36])(=[O:37])=[S:38]>>[O:1]=[C:2]([CH3:3])[c:4]1[c:5]([C:25]([F:26])([F:27])[F:28])[n:6][n:7]([CH2:9][C:10](=[O:11])[NH:12][c:13]2[c:14]([C:22](=[O:23])[NH2:24])[c:15]3[c:16]([s:17]2)[CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium Ion3회HCID 962Water6회HCID 1084Thiosulfate ionHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 236488982-(2-(4-(1-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

생성물 1

HCID 595205152-(2-(4-acetyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

출처 및 근거

ORD 기록
ord-7e55a0ee348e4e50a78e42d43288f30c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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