HRID2132740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID177

Acetaldehyde

C2H4O

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1cc(C)c(C(O)c2c(C(F)(F)F)cc(Cl)nc2Cl)c(OC)c1OC

HCID12151532

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1cc(C)c(C(O)c2c(Cl)nc(Cl)c(C(C)O)c2C(F)(F)F)c(OC)c1OC

HCID23503591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d61f68e19e67470dae678d30ac06f792
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:13][O:14][c:15]1[c:16]([CH:26]([OH:27])[c:28]2[c:29]([Cl:39])[n:30][c:31]([Cl:38])[cH:32][c:33]2[C:34]([F:35])([F:36])[F:37])[c:17]([CH3:25])[cH:18][c:19]([O:23][CH3:24])[c:20]1[O:21][CH3:22].[CH:40]([CH3:41])=[O:42].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:43]>>[CH3:13][O:14][c:15]1[c:16]([CH:26]([OH:27])[c:28]2[c:29]([Cl:39])[n:30][c:31]([Cl:38])[c:32]([CH:40]([CH3:41])[OH:42])[c:33]2[C:34]([F:35])([F:36])[F:37])[c:17]([CH3:25])[cH:18][c:19]([O:23][CH3:24])[c:20]1[O:21][CH3:22]