HRID697920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8071

未命名化合物

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

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

HCID13882877

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)c1Cl

HCID14013784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ffda2366acc4d69824c5da38995afcb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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