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Sodium Ion → 2-[3-[(3,4-Dichlorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carbonitrile

HRID 666966
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반응식

HRID 666966 반응식
[CH3:32][N:33]1[CH2:34][CH2:35][CH2:36][C:37]1=[O:38].[CH3:39][O:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][c:9]([CH:13]([CH2:14][O:15][c:16]3[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][c:23]3[F:24])[OH:25])[cH:10][cH:11][cH:12]2)[cH:26][cH:27][c:28]1[Cl:29].[H-:30].[Na+:31]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][c:9]([CH:13]3[CH2:14][O:15][c:16]4[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][c:23]4[O:25]3)[cH:10][cH:11][cH:12]2)[cH:26][cH:27][c:28]1[Cl:29]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 8150DiglymeHCID 13387N-methyl-2-pyrrolidoneHCID 166653HydrideHCID 667196263-[2-[3-[(3,4-Dichlorophenyl)methoxy]phenyl]-2-hydroxyethoxy]-4-fluorobenzonitrile

생성물 1

HCID 667193132-[3-[(3,4-Dichlorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
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출처 및 근거

ORD 기록
ord-17c5c843806f42c48c0044fb101cec1c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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