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Sodium Ion → 2-[5-(4-Methyl-piperazin-1-ylmethyl)-2-nitro-phenylamino]-4-(3-trifluoromethylphenyl)-thiazole-5-carboxylic acid amide

HRID 1208870
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반응식

HRID 1208870 반응식
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:31][N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([N+:28](=[O:29])[O-:30])[c:7]([NH:9][c:10]2[s:11][c:12]([C:25](=[O:26])[NH2:27])[c:13](-[c:15]3[cH:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]3)[n:14]2)[cH:8]1.[Cl:52][CH2:53][Cl:54].[Na+:51]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([N+:28](=[O:29])[O-:30])[c:7]([NH:9][c:10]2[s:11][c:12]([C:25](=[O:26])[NH2:27])[c:13](-[c:15]3[cH:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]3)[n:14]2)[cH:8]1)[N:35]1[CH2:34][CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]1
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참가 물질

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반응물 5

HCID 923Sodium IonHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 866428542-(5-Formyl-2-nitro-phenylamino)-4-(3-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid amide

생성물 1

HCID 86642855
2-[5-(4-Methyl-piperazin-1-ylmethyl)-2-nitro-phenylamino]-4-(3-trifluoromethylphenyl)-thiazole-5-carboxylic acid amide

출처 및 근거

ORD 기록
ord-48e3930dcbae4f6aab414267622ab558
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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