HRID183090

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

HCID227304

(4-Chlorophenyl)methanesulfonyl chloride

C7H6Cl2O2S

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

HCID86656648

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：C[N+](C)(CCNC(=O)c1nc(Cl)c(N)nc1N)CCNS(=O)(=O)Cc1ccc(Cl)cc1

HCID58398844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf49ec5a745f4038b14569115c0124d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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