HRID817453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID28486

Lithium ion

Li+

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID5062348

未命名化合物

HCID67402810

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)nn1C

HCID67402050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cd15e29ef4243198804c3a7a28acd44
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

[CH2:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH3:50].[CH3:15][N:16]1[CH2:17][CH2:18][CH2:19][N:20]([CH3:21])[C:22]1=[O:23].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[CH3:9][CH2:10][O:11][C:12]([CH3:13])=[O:14].[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[I:24][CH2:25][c:26]1[cH:27][c:28](-[c:32]2[cH:33][cH:34][c:35]([O:38][C:39]([F:40])([F:41])[F:42])[cH:36][cH:37]2)[n:29][n:30]1[CH3:31].[Li+:8].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1>>[CH3:9][CH2:10][O:11][C:12]([CH2:13][CH2:25][c:26]1[cH:27][c:28](-[c:32]2[cH:33][cH:34][c:35]([O:38][C:39]([F:40])([F:41])[F:42])[cH:36][cH:37]2)[n:29][n:30]1[CH3:31])=[O:14]