HRID690390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2734875

3-Fluoro-4-methylbenzoyl chloride

C8H6ClFO

HCID3034819

Methyl radical

CH3

结构：CC(C)C(NCC(C)(C)N)c1nc2nc(Cl)cnc2c(=O)n1Cc1ccccc1

HCID22172622

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC(C)(C)CNC(c2nc3nc(Cl)cnc3c(=O)n2Cc2ccccc2)C(C)C)cc1F

HCID22172604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a9ca08e219346b6affb0dd4b65d3a93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:49][CH2:50][Cl:51].[F:38][c:39]1[cH:40][c:41]([C:42](=[O:43])[Cl:44])[cH:45][cH:46][c:47]1[CH3:48].[NH2:2][C:3]([CH2:4][NH:5][CH:6]([CH:7]([CH3:8])[CH3:9])[c:10]1[n:11][c:12]2[n:13][c:14]([Cl:28])[cH:15][n:16][c:17]2[c:18](=[O:27])[n:19]1[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)([CH3:29])[CH3:30]>>[NH:2]([C:3]([CH2:4][NH:5][CH:6]([CH:7]([CH3:8])[CH3:9])[c:10]1[n:11][c:12]2[n:13][c:14]([Cl:28])[cH:15][n:16][c:17]2[c:18](=[O:27])[n:19]1[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)([CH3:29])[CH3:30])[C:42]([c:41]1[cH:40][c:39]([F:38])[c:47]([CH3:48])[cH:46][cH:45]1)=[O:43]