HRID1551864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID13035

Piperidine, 2,2,6,6-tetramethyl-

C9H19N

HCID89683

2,3,4-Trimethoxy-6-methylbenzaldehyde

C11H14O4

HCID23133649

5-Bromo-4-chloro-2-methoxypyridine

C6H5BrClNO

HCID178418339

未命名化合物

HCID178506769

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(C(O)c2c(OC)ncc(Br)c2Cl)c(OC)c1OC

HCID23082647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43ab0e12f0c74d05a312b99247bdfabc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:16][c:17]1[c:18]([Cl:25])[cH:19][c:20]([O:23][CH3:24])[n:21][cH:22]1.[Br:26][c:27]1[c:28]([Cl:29])[c:30]([Li:31])[c:32]([O:33][CH3:34])[n:35][cH:36]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:37][O:38][c:39]1[c:40]([CH:41]=[O:42])[c:43]([CH3:51])[cH:44][c:45]([O:49][CH3:50])[c:46]1[O:47][CH3:48].[CH3:6][C:7]1([CH3:8])[CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[NH:15]1.[Cl-:52].[NH4+:53].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:59]>>[Br:16][c:17]1[c:18]([Cl:25])[c:19]([CH:41]([c:40]2[c:39]([O:38][CH3:37])[c:46]([O:47][CH3:48])[c:45]([O:49][CH3:50])[cH:44][c:43]2[CH3:51])[OH:42])[c:20]([O:23][CH3:24])[n:21][cH:22]1