HRID296442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

结构：CCOC(=O)COc1ccc(SC(C)c2ccc3nc(-c4ccc(C(F)(F)F)cc4)sc3c2)cc1C

HCID59732670

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(SC(C)c2ccc3nc(-c4ccc(C(F)(F)F)cc4)sc3c2)ccc1OCC(=O)O

HCID11755820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a90a09b62e8841089e45c56149d324a3
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

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