HRID1227700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID2735700

N-Boc-1,3-propanediamine

C8H18N2O2

结构：CN(C)C(=O)C(Br)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID58378174

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)C(NCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID58378184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dddbbcba0ac64778ba82cbcb0663da08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:32](=[O:33])([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:39][CH2:40][CH2:41][CH2:42][NH2:43].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:20]([C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[Br:26])[n:10][c:11]2[cH:12][c:13]([Cl:19])[cH:14][cH:15][c:16]2[c:17]1=[O:18].[CH3:27][N:28]([CH3:29])[CH:30]=[O:31].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[OH2:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:20]([C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[NH:43][CH2:42][CH2:41][CH2:40][NH:39][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[n:10][c:11]2[cH:12][c:13]([Cl:19])[cH:14][cH:15][c:16]2[c:17]1=[O:18]