Benzene → HCID 136048655, 화합물

HRID 308911노트

반응식

HRID 308911 반응식
[Al+3:31].[Cl-:30].[Cl-:32].[Cl-:33].[Cl:7][c:8]1[c:9](-[c:15]2[n:16][n:17]([CH3:29])[c:18](-[c:20]3[cH:21][c:22]([Cl:28])[c:23]([O:26][CH3:27])[cH:24][cH:25]3)[n:19]2)[c:10]([F:14])[cH:11][cH:12][cH:13]1.[OH2:34].[cH:1]1[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[Cl:7][c:8]1[c:9](-[c:15]2[n:16][n:17]([CH3:29])[c:18](-[c:20]3[cH:21][c:22]([Cl:28])[c:23]([OH:26])[cH:24][cH:25]3)[n:19]2)[c:10]([F:14])[cH:11][cH:12][cH:13]1

참가 물질

6

반응물 5

HCID 241BenzeneHCID 312Chloride3회HCID 962WaterHCID 104727Aluminum CationHCID 214636823-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-methoxyphenyl)-1-methyl-1H-1,2,4-triazole

생성물 1

HCID 136048655HCID 136048655, 화합물

출처 및 근거

ORD 기록
ord-6a7096cb9a8d44a7a04392a2a89452c6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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