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Chloride → 4-(2,4-Dichlorophenyl)-1-(4-methylphenylsulfonyl)-4-piperidinecarbonitrile

HRID 107216
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인쇄 미리보기

반응식

HRID 107216 반응식
[CH2:37]([N+:38]([CH2:39][CH3:40])([CH2:41][CH3:42])[CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH3:50].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl-:36].[Cl:20][c:21]1[c:22]([CH2:28][C:29]#[N:30])[cH:23][cH:24][c:25]([Cl:27])[cH:26]1.[Cl:3][CH2:4][CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]1)[CH2:17][CH2:18][Cl:19].[Na+:2].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH-:1].[OH2:51]>>[CH2:4]1[CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[CH2:17][CH2:18][C:28]1([c:22]1[c:21]([Cl:20])[cH:26][c:25]([Cl:27])[cH:24][cH:23]1)[C:29]#[N:30]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 312ChlorideHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 8028TetrahydrofuranHCID 17208BenzyltriethylammoniumHCID 805662,4-Dichlorophenylacetonitrile
HCID 96039
N,N-bis(2-chloroethyl)-p-toluenesulphonamide

생성물 1

HCID 130942454-(2,4-Dichlorophenyl)-1-(4-methylphenylsulfonyl)-4-piperidinecarbonitrile

출처 및 근거

ORD 기록
ord-cbbe9470c28740b6a13b8fcd580fa610
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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