HRID161141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID69828

Cyclopropanamine

C3H7N

结构：COc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)c(Cl)c3)c2cc1C(N)=O

HCID22936529

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O

HCID9823820

Lenvatinib

C21H19ClN4O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dd25f9501f7430eb4166b000d8f01b4
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:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([O:16][c:17]3[cH:18][c:19]([Cl:33])[c:20]([NH:23][C:24]([O:25][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)=[O:26])[cH:21][cH:22]3)[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH3:15].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH:34]1([NH2:37])[CH2:35][CH2:36]1.[OH2:38]>>[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([O:16][c:17]3[cH:18][c:19]([Cl:33])[c:20]([NH:23][C:24](=[O:25])[NH:37][CH:34]4[CH2:35][CH2:36]4)[cH:21][cH:22]3)[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH3:15]