HRID201546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)n[nH]1

HCID10589418

3(2H)-Pyridazinone, 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-

C17H12N4O

HCID10867360

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Oc2ccc(C#N)cc2C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1O

HCID19009030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cd01a5294d74a0bad6bd304286fa12e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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