HRID319735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7102

4-Biphenylamine

C12H11N

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID789954

4-[(Pyridin-4-yl)methyl]phthalazin-1(2H)-one

C14H11N3O

PRODUCTS

生成物

结构：c1ccc(-c2ccc(Nc3nnc(Cc4ccncc4)c4ccccc34)cc2)cc1

HCID6419389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3d45763176a4e4ab728a95dff361c6b
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

[CH2:2]([N:3]([CH2:4][CH3:5])[CH2:6][CH3:7])[CH3:8].[CH3:45][OH:46].[Cl:47][CH2:48][Cl:49].[ClH:1].[NH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:14][cH:15]1.[O-:40][C:41](=[O:42])[O-:43].[OH2:44].[n:22]1[cH:23][cH:24][c:25]([CH2:28][c:29]2[n:30][nH:31][c:32](=[O:39])[c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]23)[cH:26][cH:27]1>>[NH:9]([c:10]1[cH:11][cH:12][c:13](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:14][cH:15]1)[c:32]1[n:31][n:30][c:29]([CH2:28][c:25]2[cH:24][cH:23][n:22][cH:27][cH:26]2)[c:38]2[c:33]1[cH:34][cH:35][cH:36][cH:37]2