HRID1134406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7934

3-Methylaniline

C7H9N

HCID8471

Triethylamine

C6H15N

HCID12437

Tetramethylurea

C5H12N2O

HCID789954

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

C14H11N3O

PRODUCTS

生成物

结构：Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1

HCID6419387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abca61d7633f450f9aba3d33cc48c92c
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

[CH2:2]([N:3]([CH2:4][CH3:5])[CH2:6][CH3:7])[CH3:8].[CH3:35][N:36]([CH3:37])[C:38](=[O:39])[N:40]([CH3:41])[CH3:42].[Cl:45][CH2:46][Cl:47].[ClH:1].[NH2:9][c:10]1[cH:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]1.[NH3:43].[OH2:44].[n:17]1[cH:18][cH:19][c:20]([CH2:23][c:24]2[n:25][nH:26][c:27](=[O:34])[c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]23)[cH:21][cH:22]1>>[NH:9]([c:10]1[cH:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]1)[c:27]1[n:26][n:25][c:24]([CH2:23][c:20]2[cH:19][cH:18][n:17][cH:22][cH:21]2)[c:33]2[c:28]1[cH:29][cH:30][cH:31][cH:32]2