HRID148006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID936738

4-(4-ethylpiperazin-1-yl)aniline

C12H19N3

反应SMILES：CCn1c(=O)c(-c2ccccc2)cc2c(C)nc(S(C)(=O)=O)nc21

HCID45117823

8-Ethyl-2-(methanesulfonyl)-4-methyl-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one

C17H17N3O3S

PRODUCTS

产物

反应SMILES：CCN1CCN(c2ccc(Nc3nc(C)c4cc(-c5ccccc5)c(=O)n(CC)c4n3)cc2)CC1

HCID16123801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-69647e7ff8f64b6e9bf104c4bdc338c8
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

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