HRID96789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID736618

4-Chlorothieno[2,3-d]pyrimidine

C6H3ClN2S

HCID4574913

未命名化合物

结构：COC(=O)CCSc1cnc(Nc2nc(C3CCN(C(C)=O)CC3)cs2)c(Oc2ccccc2)c1

HCID86631532

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(c2csc(Nc3ncc(Sc4ncnc5sccc45)cc3Oc3ccccc3)n2)CC1

HCID57742791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47dd1fa591ae415b913d3d560ab2f5cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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