HRID207437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID2734060

未命名化合物

HCID50853176

3-Chloro-5-cyanopyridine-2-carboxylic acid

C7H3ClN2O2

HCID66931537

未命名化合物

PRODUCTS

产物

HCID178490980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-98f09ad0ff17469b8d57f92ea0e73153
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:54][O:55][c:56]1[n:57][c:58]([O:59][CH3:60])[n:61][c:62]([N+:63]2([CH3:64])[CH2:65][CH2:66][O:67][CH2:68][CH2:69]2)[n:70]1.[Cl-:53].[Cl:1][c:2]1[c:3]([C:10](=[O:11])[OH:12])[n:4][cH:5][c:6]([C:8]#[N:9])[cH:7]1.[NH2:13][c:14]1[cH:15][cH:16][c:17]([F:51])[c:18]([C:20]2([CH3:50])[N:21]=[C:22]([NH:26][C:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)([c:34]3[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]3)[c:42]3[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]3)[CH2:23][O:24][CH2:25]2)[cH:19]1.[OH2:52]>>[Cl:1][c:2]1[c:3]([C:10](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([F:51])[c:18]([C:20]3([CH3:50])[N:21]=[C:22]([NH:26][C:27]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)([c:34]4[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]4)[c:42]4[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]4)[CH2:23][O:24][CH2:25]3)[cH:19]2)[n:4][cH:5][c:6]([C:8]#[N:9])[cH:7]1