HRID155583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

2 次

HCID4574913

未命名化合物

HCID22936418

4-Chloro-7-methoxyquinoline-6-carboxamide

C11H9ClN2O2

HCID23135084

N-(2-Chloro-4-hydroxyphenyl)-N'-cyclopropylurea

C10H11ClN2O2

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-37c9170736db4065be212a22acd279d4
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

[CH3:17][S:18](=[O:19])[CH3:20].[CH3:1][O:2][c:3]1[c:4]([C:14](=[O:15])[NH2:16])[cH:5][c:6]2[c:7]([Cl:13])[cH:8][cH:9][n:10][c:11]2[cH:12]1.[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[CH3:44][C:45]([CH3:46])=[O:47].[Cl:21][c:22]1[c:23]([NH:29][C:30](=[O:31])[NH:32][CH:33]2[CH2:34][CH2:35]2)[cH:24][cH:25][c:26]([OH:28])[cH:27]1.[K+:41].[OH2:42].[OH2:43]>>[CH3:1][O:2][c:3]1[c:4]([C:14](=[O:15])[NH2:16])[cH:5][c:6]2[c:7]([O:28][c:26]3[cH:25][cH:24][c:23]([NH:29][C:30](=[O:31])[NH:32][CH:33]4[CH2:34][CH2:35]4)[c:22]([Cl:21])[cH:27]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1