HRID2132916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID82604

Nicotinoyl chloride

C6H4ClNO

HCID15291362

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1c2ccccc2-c2[nH]c(=O)c3nccn3c21)c1cccnc1

HCID18975440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a30dd49b91d4407784395dd18a497ad3
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

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