HRID690522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6456

Trityl chloride

C19H15Cl

HCID81531

Diisopropylethylamine

C8H19N

HCID6407182

6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

C5H3ClN4O

PRODUCTS

生成物

结构：O=c1n(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccc(Cl)nn12

HCID23000307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ca5f8cf8cd14d28845cb44a4fdaa97d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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