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2,5-Dichlorophenol → Tert-butyl 4-(2-(2,5-dichlorophenoxy)-5-nitrophenylsulfonyl)piperazine-1-carboxylate

HRID 122199
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HRID 122199 반응식
[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[Cl:12][c:13]1[c:14]([S:22](=[O:23])(=[O:24])[N:25]2[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]2)[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]1.[H-:11].[K+:56].[K+:57].[Na+:10].[O-:58][C:59]([O-:60])=[O:61].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:67].[OH:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1[Cl:9]>>[O:1]([c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1[Cl:9])[c:13]1[c:14]([S:22](=[O:23])(=[O:24])[N:25]2[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]2)[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 662,5-DichlorophenolHCID 813Potassium Cation2회HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 2855718-Crown-6
HCID 166653Hydride
HCID 59260816Tert-butyl 4-(2-chloro-5-nitrophenylsulfonyl)piperazine-1-carboxylate

생성물 1

HCID 66770240Tert-butyl 4-(2-(2,5-dichlorophenoxy)-5-nitrophenylsulfonyl)piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-1d8fd1d9337b421e8fb6f56f224eb924
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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