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Chloride → Ethyl 2-amino-4-cyano-6-(trifluoromethyl)phenyl(2-chlorobenzyl)carbamate

HRID 193268
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HRID 193268 반응식
[C:30](=[O:31])([OH:32])[O-:33].[CH3:35][OH:36].[Cl-:37].[Cl-:39].[Cl-:40].[Cl:1][c:2]1[c:3]([CH2:4][N:5]([C:6]([O:7][CH2:8][CH3:9])=[O:10])[c:11]2[c:12]([N+:23]([O-:24])=[O:25])[cH:13][c:14]([C:21]#[N:22])[cH:15][c:16]2[C:17]([F:18])([F:19])[F:20])[cH:26][cH:27][cH:28][cH:29]1.[Na+:34].[Ti+3:38]>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]([C:6]([O:7][CH2:8][CH3:9])=[O:10])[c:11]2[c:12]([NH2:23])[cH:13][c:14]([C:21]#[N:22])[cH:15][c:16]2[C:17]([F:18])([F:19])[F:20])[cH:26][cH:27][cH:28][cH:29]1
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참가 물질

7

반응물 6

HCID 312Chloride3회HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 5153393TiIIIHCID 69744412Ethyl 2-chlorobenzyl[4-cyano-2-nitro-6-(trifluoromethyl)phenyl]carbamate

생성물 1

HCID 22327355Ethyl 2-amino-4-cyano-6-(trifluoromethyl)phenyl(2-chlorobenzyl)carbamate

출처 및 근거

ORD 기록
ord-cecb3c7e9c874fa4933e9bc1608fe343
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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