HRID1219389

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

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)CNc1cc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)ccc1C

HCID68884771

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1NCC(=O)O

HCID18448467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15489b5e58c04f3b8fa6f1a4fd3130c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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