HRID2142163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID6422

未命名化合物

HCID643373

2-methylnicotinic acid

C7H7NO2

结构：CC(N)CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

HCID67165668

未命名化合物

PRODUCTS

生成物

结构：Cc1ncccc1C(=O)NC(C)CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

HCID178432685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a58def43a11d4ef8bd1948a38a149b28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:37][c:38]1[c:39]([C:40](=[O:41])[OH:42])[cH:43][cH:44][cH:45][n:46]1.[CH3:48][C:49](=[O:50])[O-:51].[Cl:8][c:9]1[cH:10][c:11]2[c:12]3[cH:13][cH:14][n:15][cH:16][c:17]3[nH:18][c:19]2[c:20]([NH:22][C:23](=[O:24])[CH:25]2[CH2:26][O:27][C:28]([CH3:35])([CH3:36])[CH2:29][N:30]2[CH2:31][CH:32]([CH3:33])[NH2:34])[cH:21]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH4+:47]>>[Cl:8][c:9]1[cH:10][c:11]2[c:12]3[cH:13][cH:14][n:15][cH:16][c:17]3[nH:18][c:19]2[c:20]([NH:22][C:23](=[O:24])[CH:25]2[CH2:26][O:27][C:28]([CH3:35])([CH3:36])[CH2:29][N:30]2[CH2:31][CH:32]([CH3:33])[NH:34][C:40]([c:39]2[c:38]([CH3:37])[n:46][cH:45][cH:44][cH:43]2)=[O:41])[cH:21]1