HRID310892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID263

1-Butanol

C4H10O

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID2736776

6-methoxynicotinonitrile

C7H6N2O

HCID16227379

1-(6-Methoxypyridin-3-yl)methanamine

C7H10N2O

结构：CCOC(=O)c1ccc(-c2cc3c(Cl)ncnc3[nH]2)cc1

HCID23282696

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2cc3c(NCc4ccc(OC)nc4)ncnc3[nH]2)cc1

HCID69181635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0a719d00411464bb92fdb264bfdab10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16][n:17][c:18]3[Cl:19])[nH:20]2)[cH:9][cH:10]1)=[O:21].[CH2:52]([OH:53])[CH2:54][CH2:55][CH3:56].[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][NH2:31])[cH:28][n:29]1.[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([C:38]#[N:39])[cH:40][n:41]1.[CH3:43][OH:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[NH3:42]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16][n:17][c:18]3[NH:31][CH2:30][c:27]3[cH:26][cH:25][c:24]([O:23][CH3:22])[n:29][cH:28]3)[nH:20]2)[cH:9][cH:10]1)=[O:21]