HRID152886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10910051

tert-Butyl N-(3-oxopropyl)carbamate

C8H15NO3

HCID22172621

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NCCCNC(=O)OC(C)(C)C)c1nc2nccnc2c(=O)n1Cc1ccccc1

HCID69315652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06d329fcf40f4507b1f6b815dfbf5c8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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