HRID2335970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID1003

Dihydrogen phosphate

H2O4P-

HCID19001

2,3-Butanediol, 1,4-dimercapto-

C4H10O2S2

结构：CCCCc1cc(SCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)OC

HCID22280052

未命名化合物

PRODUCTS

生成物

结构：CCCCc1cc(SCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)O

HCID22280143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c83fac1d972842b8835bf0a74b3ca554
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:15]([CH2:16][CH2:17][CH3:18])[c:19]1[c:20]([O:21][CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28][c:29]([S:31][CH2:32][c:33]2[cH:34][cH:35][c:36](-[c:39]3[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]3)[cH:37][cH:38]2)[cH:30]1.[CH3:49][OH:50].[K+:14].[P:9]([O-:10])([OH:11])([OH:12])=[O:13].[SH:1][CH2:2][CH:3]([CH:4]([CH2:5][SH:6])[OH:7])[OH:8]>>[CH2:15]([CH2:16][CH2:17][CH3:18])[c:19]1[c:20]([O:21][CH2:22][C:23](=[O:24])[OH:25])[cH:27][cH:28][c:29]([S:31][CH2:32][c:33]2[cH:34][cH:35][c:36](-[c:39]3[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]3)[cH:37][cH:38]2)[cH:30]1