HRID1204178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CC(C)C(NCC(C)(C)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID69074256

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NCC(C)(C)N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID21097057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbded44a9672480db7d3bea2fdec0808
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:1]([O:2][C:3](=[O:4])[NH:7][C:8]([CH2:9][NH:10][CH:11]([CH:12]([CH3:13])[CH3:14])[c:15]1[n:16][c:17]2[cH:18][c:19]([Cl:33])[cH:20][cH:21][c:22]2[c:23](=[O:32])[n:24]1[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([CH3:34])[CH3:35])([CH3:5])([CH3:6])[CH3:36].[Cl:44][CH2:45][Cl:46].[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43]>>[NH2:7][C:8]([CH2:9][NH:10][CH:11]([CH:12]([CH3:13])[CH3:14])[c:15]1[n:16][c:17]2[cH:18][c:19]([Cl:33])[cH:20][cH:21][c:22]2[c:23](=[O:32])[n:24]1[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([CH3:34])[CH3:35]