HRID938560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID16781212

3-Chloro-4-[(pyridin-2-yl)methoxy]aniline

C12H11ClN2O

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

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)C1

HCID59586974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b0784a5260c41e09b0837209e5fcc28
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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