HRID2342046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Cl)c23)C1

HCID49788563

tert-Butyl 4-chloro-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate

C14H16ClN3O2S

HCID58413079

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)cc4OC4CCOCC4)c23)C1

HCID69669114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75e743ab9de845118328153edfe72229
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[Cl:18])[s:19]2)[CH2:20][CH2:21]1.[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[F:22][c:23]1[cH:24][c:25]([O:30][CH:31]2[CH2:32][CH2:33][O:34][CH2:35][CH2:36]2)[c:26]([NH2:27])[cH:28][cH:29]1.[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[NH:27][c:26]3[c:25]([O:30][CH:31]4[CH2:32][CH2:33][O:34][CH2:35][CH2:36]4)[cH:24][c:23]([F:22])[cH:29][cH:28]3)[s:19]2)[CH2:20][CH2:21]1