HRID1112804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID2794648

(4-Methylphenyl)methanesulfonyl chloride

C8H9ClO2S

结构：C[N+](C)(CCCN)CCNC(=O)c1nc(Cl)c(N)nc1N

HCID86656638

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：Cc1ccc(CS(=O)(=O)NCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1

HCID86656650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df999d33467f45009d8693ac494453b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br-:1].[CH3:35][N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[NH2:2][CH2:3][CH2:4][CH2:5][N+:6]([CH3:7])([CH3:8])[CH2:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][c:16]([Cl:22])[c:17]([NH2:21])[n:18][c:19]1[NH2:20].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[c:23]1([CH3:34])[cH:24][cH:25][c:26]([CH2:29][S:30](=[O:31])(=[O:32])[Cl:33])[cH:27][cH:28]1>>[Br-:1].[NH:2]([CH2:3][CH2:4][CH2:5][N+:6]([CH3:7])([CH3:8])[CH2:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][c:16]([Cl:22])[c:17]([NH2:21])[n:18][c:19]1[NH2:20])[S:30]([CH2:29][c:26]1[cH:25][cH:24][c:23]([CH3:34])[cH:28][cH:27]1)(=[O:31])=[O:32]