HRID1122627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID10013839

未命名化合物

结构：COc1ccc(CC(CO)NC(=O)c2ccnc(Br)c2)cc1OC

HCID21840811

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(CO)NC(=O)c2ccnc(-n3nc(-c4cccnc4)c4ccccc4c3=O)c2)cc1OC

HCID21840841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f70e7167eaa427aa4e03da08da3f31f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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