HRID214941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID11668

Ethanesulfonic acid

C2H6O3S

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

HCID9823820

Lenvatinib

C21H19ClN4O4

PRODUCTS

生成物

HCID3717105

Ethanesulfonate

C2H5O3S-

HCID9823820

Lenvatinib

C21H19ClN4O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ed745615e664bd49d51a67b19c477aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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