HRID304317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6395

Methanesulfonic acid

CH4O3S

HCID8857

Ethyl acetate

C4H8O2

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

HCID9823820

Lenvatinib

C21H19ClN4O4

PRODUCTS

生成物

HCID85257

Methanesulfonate

CH3O3S-

HCID9823820

Lenvatinib

C21H19ClN4O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a666a9b57be4cc99576d9dff925e21b
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

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