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Water → N-(3,5-bis(trifluoromethyl)benzylidene)(2-chloro-5-(trifluoromethyl)phenyl)methanamine

HRID 124321
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반응식

HRID 124321 반응식
[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[Cl:8][c:9]1[c:10]([CH2:11][NH2:12])[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]1.[F:21][C:22]([c:23]1[cH:24][c:25]([CH:26]=[O:27])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36].[OH2:48].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([NH2:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[Cl:8][c:9]1[c:10]([CH2:11][N:12]=[CH:26][c:25]2[cH:24][c:23]([C:22]([F:21])([F:35])[F:36])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28]2)[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]1
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반응물 5

HCID 962WaterHCID 1140TolueneHCID 6269P-ToluenesulfonamideHCID 1362473,5-Bis(trifluoromethyl)benzaldehydeHCID 27366822-Chloro-5-(trifluoromethyl)benzylamine

생성물 1

HCID 86614963N-(3,5-bis(trifluoromethyl)benzylidene)(2-chloro-5-(trifluoromethyl)phenyl)methanamine

출처 및 근거

ORD 기록
ord-31a146b096dd41a3889cbdf3055d8069
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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