HRID92422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7504

Benzylamine

C7H9N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID10656738

1,4-dichlorophthalazine-6-carbonitrile

C9H3Cl2N3

HCID15548036

1-(4-Chloro-3-methoxyphenyl)methanamine

C8H10ClNO

PRODUCTS

生成物

结构：COc1cc(CNc2nnc(Cl)c3ccc(C#N)cc23)ccc1Cl

HCID18374614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5c4a7b9c3104d08abdc82084c5a2242
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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