HRID152713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID10969393

未命名化合物

HCID11830774

methyl 6-chloro[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylate

C7H5ClN4O2

PRODUCTS

生成物

结构：COC(=O)c1nc2ccc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn2n1

HCID10864022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d3272b2b159466b86c125785af72aad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH:44]([CH3:45])[CH3:46])[CH3:47].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl-:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[n:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[n:10]2.[Na+:48].[OH2:55].[c:15]1([CH:21]([O:22][CH:23]2[CH2:24][CH2:25][N:26]([CH2:29][CH2:30][CH2:31][NH2:32])[CH2:27][CH2:28]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[c:2]1([NH:32][CH2:31][CH2:30][CH2:29][N:26]2[CH2:25][CH2:24][CH:23]([O:22][CH:21]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:28][CH2:27]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[n:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[n:10]2