HRID117099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8071

未命名化合物

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：CCOC(=O)c1c(OC)cc(C(F)(F)F)nc1C(F)(F)F

HCID13882866

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)c1c(C(F)(F)F)nc(C(F)(F)F)c(C(=O)OCC)c1OC

HCID14013776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40d2a207509346a69667d527e5e90548
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[CH3:8][CH2:9][CH2:10][CH2:11][Li:12].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl:34][C:35](=[O:36])[O:37][CH2:38][CH3:39].[ClH:40].[F:13][C:14]([c:15]1[n:16][c:17]([C:28]([F:29])([F:30])[F:31])[cH:18][c:19]([O:26][CH3:27])[c:20]1[C:21](=[O:22])[O:23][CH2:24][CH3:25])([F:32])[F:33].[OH2:47]>>[F:13][C:14]([c:15]1[n:16][c:17]([C:28]([F:29])([F:30])[F:31])[c:18]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[c:19]([O:26][CH3:27])[c:20]1[C:21](=[O:22])[O:23][CH2:24][CH3:25])([F:32])[F:33]