HRID2143355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID810913

4-(1,4-Dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one

C14H22O3

HCID5462224

Magnesium

HCID26985491

1-Bromo-4-ethoxy-2,3-difluorobenzene

C8H7BrF2O

PRODUCTS

生成物

结构：CCOc1ccc(C2(O)CCC(C3CCC4(CC3)OCCO4)CC2)c(F)c1F

HCID59773646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f2a27d18c03499b8729cb65d399b77e
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

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