HRID139908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID2735893

3-(Cyclopentyloxy)-4-methoxybenzaldehyde

C13H16O3

HCID10953827

3,5-Dichloro-4-picoline

C6H5Cl2N

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC1CCCC1

HCID21697680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d5b5632df6b458a8cf2a4773fafb6e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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