HRID99222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：CC(=O)OCc1nccc(Oc2ccc3c(cc(C)n3C(=O)Nc3cccc(C(F)(F)F)c3)c2F)n1

HCID59394198

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(F)c(Oc3ccnc(CO)n3)ccc2n1C(=O)Nc1cccc(C(F)(F)F)c1

HCID59394538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed447752fc6a455391d6bca8c271ca88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH3:46][OH:47].[Cl-:43].[F:7][c:8]1[c:9]2[cH:10][c:11]([CH3:42])[n:12]([C:29]([NH:30][c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)=[O:41])[c:13]2[cH:14][cH:15][c:16]1[O:17][c:18]1[n:19][c:20]([CH2:24][O:25][C:26](=[O:27])[CH3:28])[n:21][cH:22][cH:23]1.[K+:5].[K+:6].[NH4+:44].[OH2:45]>>[F:7][c:8]1[c:9]2[cH:10][c:11]([CH3:42])[n:12]([C:29]([NH:30][c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)=[O:41])[c:13]2[cH:14][cH:15][c:16]1[O:17][c:18]1[n:19][c:20]([CH2:24][OH:25])[n:21][cH:22][cH:23]1