HRID313017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID75886

2-Chloro-N,N-dimethylacetamide

C4H8ClNO

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3(F)CCN(C(=O)OC(C)(C)C)CC3)ccc1-2

HCID58203893

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3(F)CCN(CC(=O)N(C)C)CC3)ccc1-2

HCID58204258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4d6b7efdef34142b35ea40875a710dd
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

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([cH:34][cH:35]2)-[c:18]2[n:19][c:20](-[c:26]4[n:27]([CH:31]([CH3:32])[CH3:33])[n:28][cH:29][n:30]4)[s:21][c:22]2[CH2:23][CH2:24][O:25]3)([F:36])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:51][CH2:52][C:53](=[O:54])[N:55]([CH3:56])[CH3:57].[Cl:58][CH2:59][Cl:60].[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43]>>[N:8]1([CH2:52][C:53](=[O:54])[N:55]([CH3:56])[CH3:57])[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([cH:34][cH:35]2)-[c:18]2[n:19][c:20](-[c:26]4[n:27]([CH:31]([CH3:32])[CH3:33])[n:28][cH:29][n:30]4)[s:21][c:22]2[CH2:23][CH2:24][O:25]3)([F:36])[CH2:12][CH2:13]1