HRID2350509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10969393

未命名化合物

HCID12212526

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

C6H5ClN4

PRODUCTS

生成物

结构：Cc1nc2ccc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn2n1

HCID11037816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7daf1fb8478e4f34accaf80b964f80d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:45](=[O:46])([O-:47])[OH:48].[CH2:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[CH3:44].[CH2:50]([OH:51])[CH2:52][CH2:53][CH3:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[n:8][c:9]([CH3:11])[n:10]2.[Na+:49].[c:12]1([CH:18]([O:19][CH:20]2[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][CH2:28][NH2:29])[CH2:24][CH2:25]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[c:2]1([NH:29][CH2:28][CH2:27][CH2:26][N:23]2[CH2:22][CH2:21][CH:20]([O:19][CH:18]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:25][CH2:24]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[n:8][c:9]([CH3:11])[n:10]2