HRID946054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID66568109

Ethanone, 1-[4-(2-hydroxyethyl)-2-methyl-1-piperazinyl]-

C9H18N2O2

结构：Oc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

HCID68500430

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1C

HCID75229056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce492a01519c443e951924c948db5188
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:52](=[O:53])([O-:54])[O-:55].[C:6]([CH3:7])(=[O:8])[N:9]1[CH:10]([CH3:18])[CH2:11][N:12]([CH2:15][CH2:16][OH:17])[CH2:13][CH2:14]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[Cl:58][CH2:59][Cl:60].[F:26][C:27]([c:28]1[n:29][n:30][c:31]2[n:32]1[N:33]=[C:34]([N:37]1[CH2:38][CH2:39][CH:40]([c:43]3[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]3)[CH2:41][CH2:42]1)[CH2:35][CH2:36]2)([F:50])[F:51].[K+:56].[K+:57].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[C:6]([CH3:7])(=[O:8])[N:9]1[CH:10]([CH3:18])[CH2:11][N:12]([CH2:15][CH2:16][O:17][c:46]2[cH:45][cH:44][c:43]([CH:40]3[CH2:39][CH2:38][N:37]([C:34]4=[N:33][n:32]5[c:28]([C:27]([F:26])([F:50])[F:51])[n:29][n:30][c:31]5[CH2:36][CH2:35]4)[CH2:42][CH2:41]3)[cH:48][cH:47]2)[CH2:13][CH2:14]1