HRID118021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID31275

1,4-Dioxane

C4H8O2

HCID2759834

Methyl 4-chloro-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

C9H7ClN2O2S

HCID53256608

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc2ncnc(Nc3cccnc3OC3CCOCC3)c2c1C

HCID46182086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62c3b156f945416692adc19ebfe2e93e
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

[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[Cl:15][c:16]1[c:17]2[c:18]([n:19][cH:20][n:21]1)[s:22][c:23]([C:26](=[O:27])[O:28][CH3:29])[c:24]2[CH3:25].[NH4+:43].[O:1]1[CH2:2][CH2:3][CH:4]([O:7][c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[NH2:14])[CH2:5][CH2:6]1.[OH-:42].[OH2:41].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[O:1]1[CH2:2][CH2:3][CH:4]([O:7][c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[NH:14][c:16]2[c:17]3[c:18]([n:19][cH:20][n:21]2)[s:22][c:23]([C:26](=[O:27])[O:28][CH3:29])[c:24]3[CH3:25])[CH2:5][CH2:6]1