HRID1148815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6580

Chloroacetamide

C2H4ClNO

HCID8471

Triethylamine

C6H15N

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC4CC3CN4)n(C)c2n1

HCID67492184

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC4CC3CN4CC(N)=O)n(C)c2n1

HCID178437407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8a1aeb2846e4ca6996d81d701c1fe44
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

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