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Bromide ion → 2-chloro-2',6'-dimethyl-N-(4-methoxypyrazol-1-yl-methyl)acetanilide

HRID 1551221
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인쇄 미리보기

반응식

HRID 1551221 반응식
[Br-:26].[CH2:27]([N+:28]([CH2:29][CH3:30])([CH2:31][CH3:32])[CH2:33][CH3:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:1][O:2][c:3]1[cH:4][n:5][nH:6][cH:7]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:11][CH2:12][C:13](=[O:14])[N:15]([c:16]1[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]1[CH3:22])[CH2:24][Cl:25].[Na+:9].[OH-:8].[OH2:10]>>[CH3:1][O:2][c:3]1[cH:4][n:5]([CH2:24][N:15]([C:13]([CH2:12][Cl:11])=[O:14])[c:16]2[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]2[CH3:22])[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 259Bromide ionHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 17208BenzyltriethylammoniumHCID 53247764-methoxy-1H-pyrazoleHCID 130698822-Chloro-N-(chloromethyl)-N-(2,6-dimethylphenyl)acetamide

출처 및 근거

ORD 기록
ord-86ac7e29606e48ff803449ea5905510f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 205090252-chloro-2',6'-dimethyl-N-(4-methoxypyrazol-1-yl-methyl)acetanilide