HRID677242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID305

Choline ion

C5H14NO+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

结构：CP(=O)(O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12

HCID66871866

未命名化合物

PRODUCTS

生成物

HCID305

Choline ion

C5H14NO+

HCID66871866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-467d0c13db5d422180a67e641b35eb9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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