HRID1546998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID7690

Benzeneacetic acid, 4-methoxy-

C9H10O3

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID19660

Carbonate

CO3-2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID58082293

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(=O)Nc2cc3cc(-c4cn[nH]c4)ccc3cn2)cc1

HCID58082605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c7cb2a0aa204d36a7f696d85a6cc8f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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