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Bicarbonate Ion → [5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-methylsulfonyl-1H-pyrazol-4-yl]-(2,5-dimethylphenyl)methanone

HRID 2157648
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HRID 2157648 반응식
[C:31]([O-:32])(=[O:33])[OH:34].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[NH2:1][c:2]1[c:3]([C:21](=[O:22])[c:23]2[c:24]([CH3:30])[cH:25][cH:26][c:27]([CH3:29])[cH:28]2)[c:4]([S:19][CH3:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[Na+:35].[OH2:47].[OH:36][O:37][C:38]([c:39]1[cH:40][c:41]([Cl:42])[cH:43][cH:44][cH:45]1)=[O:46]>>[NH2:1][c:2]1[c:3]([C:21](=[O:22])[c:23]2[c:24]([CH3:30])[cH:25][cH:26][c:27]([CH3:29])[cH:28]2)[c:4]([S:19]([CH3:20])(=[O:32])=[O:47])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 70297m-Chloroperbenzoic acidHCID 10183914[5-amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-methylsulfanyl-1H-pyrazol-4-yl]-(2,5-dimethylphenyl)methanone

생성물 1

HCID 9935972
[5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-methylsulfonyl-1H-pyrazol-4-yl]-(2,5-dimethylphenyl)methanone

출처 및 근거

ORD 기록
ord-6fc4c8a1c9d545ea98fcce5e571bbd74
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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