HRID815333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID2733314

1-Isocyanato-3,5-bis(trifluoromethyl)benzene

C9H3F6NO

HCID11150691

Tert-butyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylate

C13H19ClN4O2

PRODUCTS

生成物

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccnc2Cl)CC1

HCID59013946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51e6e57154d342299cfb0282c17b9c30
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([O:2][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2[Cl:20])[CH2:12][CH2:13]1)([CH3:3])([CH3:4])[CH3:5].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cl:58][CH2:59][Cl:60].[ClH:21].[N:35](=[C:36]=[O:37])[c:38]1[cH:39][c:40]([C:48]([F:49])([F:50])[F:51])[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1.[O:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1>>[C:6](=[O:7])([N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2[Cl:20])[CH2:12][CH2:13]1)[NH:35][c:38]1[cH:39][c:40]([C:48]([F:49])([F:50])[F:51])[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1