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Ammonium → 1-[(5-Bromopyrimidin-2-yl)carbonyl]-4-[(6-chlorobenzo[b]thien-2-yl)sulfonyl]-2-ethylpiperazine

HRID 160057
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인쇄 미리보기

반응식

HRID 160057 반응식
[Br:1][c:2]1[cH:3][n:4][c:5]([C:8](=[O:9])[OH:10])[n:6][cH:7]1.[CH2:49]([Cl:50])[Cl:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH3:23])([CH3:24])[CH3:25].[Cl-:47].[Cl:11][C:12]([C:13]([Cl:14])=[O:15])=[O:16].[Cl:26][c:27]1[cH:28][cH:29][c:30]2[c:31]([s:32][c:33]([S:35](=[O:36])(=[O:37])[N:38]3[CH2:39][CH:40]([CH2:44][CH3:45])[NH:41][CH2:42][CH2:43]3)[cH:34]2)[cH:46]1.[NH4+:48]>>[Br:1][c:2]1[cH:3][n:4][c:5]([C:8](=[O:10])[N:41]2[CH:40]([CH2:44][CH3:45])[CH2:39][N:38]([S:35]([c:33]3[s:32][c:31]4[c:30]([cH:29][cH:28][c:27]([Cl:26])[cH:46]4)[cH:34]3)(=[O:36])=[O:37])[CH2:43][CH2:42]2)[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 164629705-Bromopyrimidine-2-carboxylic acid
HCID 22709765
1-[(6-Chlorobenzo[b]thien-2-yl)sulfonyl]-3-ethylpiperazine

생성물 1

HCID 227113111-[(5-Bromopyrimidin-2-yl)carbonyl]-4-[(6-chlorobenzo[b]thien-2-yl)sulfonyl]-2-ethylpiperazine

출처 및 근거

ORD 기록
ord-37b4760fa8644678ab8f4c13559f5597
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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