HRID300761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID61778

Bisulfate anion

HO4S-

结构：Cn1c(=O)c2c(cc(N3CCCC(NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2Cl)n(C)c1=O

HCID178481331

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c2c(c(Cl)c(N3CCCC(NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2Cl)n(C)c1=O

HCID178481329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2714934781c4e43b74ceda2b009f577
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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