HRID173064

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

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID31275

1,4-Dioxane

C4H8O2

HCID12225263

4,6-Dichloro-5-methylthieno[2,3-d]pyrimidine

C7H4Cl2N2S

HCID58413079

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12

HCID46182299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c50ed766d03d436cbb86b81080ca2758
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

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