HRID1575230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID7882

N-Methyltaurine

C3H9NO3S

HCID19660

Carbonate

CO3-2

结构：O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCCCCI)cc2)N1c1ccc(F)cc1

HCID22252048

未命名化合物

PRODUCTS

生成物

结构：CN(CCCCOc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)CCS(=O)(=O)O

HCID23593512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3dce7bf52234c52a9af19cdb7264a52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:44](=[O:45])([O-:46])[O-:47].[CH3:36][NH:37][CH2:38][CH2:39][S:40](=[O:41])(=[O:42])[OH:43].[CH3:50][OH:51].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:35])[CH:10]([CH2:24][CH2:25][CH:26]([c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[OH:34])[CH:11]2[c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][CH2:22][I:23])[cH:16][cH:17]2)[cH:6][cH:7]1.[K+:48].[K+:49].[OH2:52]>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:35])[CH:10]([CH2:24][CH2:25][CH:26]([c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[OH:34])[CH:11]2[c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][CH2:22][N:37]([CH3:36])[CH2:38][CH2:39][S:40](=[O:41])(=[O:42])[OH:43])[cH:16][cH:17]2)[cH:6][cH:7]1