HRID302440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID89683

2,3,4-Trimethoxy-6-methylbenzaldehyde

C11H14O4

HCID520968

2,6-dichloro-4-(trifluoromethyl)pyridine

C6H2Cl2F3N

HCID178418339

未命名化合物

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bca274b473d4db99b526a5f78958226
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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