HRID1119903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID69632

Bromoacetamide

C2H4BrNO

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNCC4)cn3)ncc2Cl)n[nH]1

HCID67169156

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC(N)=O)CC4)cn3)ncc2Cl)n[nH]1

HCID58257130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ab12ac437604de897fb918a4f2f6aeb
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:36][CH2:37][C:38](=[O:39])[NH2:40].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:1][c:2]1[c:3]([NH:22][c:23]2[n:24][nH:25][c:26]([CH3:28])[cH:27]2)[n:4][c:5]([NH:8][c:9]2[n:10][cH:11][c:12]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[Cl:1][c:2]1[c:3]([NH:22][c:23]2[n:24][nH:25][c:26]([CH3:28])[cH:27]2)[n:4][c:5]([NH:8][c:9]2[n:10][cH:11][c:12]([CH:16]3[CH2:17][CH2:18][N:19]([CH2:37][C:38](=[O:39])[NH2:40])[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1