HRID2130313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID32051

Zinc (II) cation

Zn+2

结构：O=C(NC1CN2CCC1CC2)c1cccc2oc(-c3ccc(I)cc3)nc12

HCID11518485

未命名化合物

HCID178456137

未命名化合物

PRODUCTS

生成物

结构：CC#Cc1ccc(-c2nc3c(C(=O)NC4CN5CCC4CC5)cccc3o2)cc1

HCID11689561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1787d3c3dc994acab6181f2a41d665c5
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-:1].[C:2](#[C:3][CH3:4])[Mg+:5].[CH2:6]1[O:7][CH2:8][CH2:9][CH2:10]1.[Cl-:43].[Cl-:45].[N:11]12[CH2:12][CH:13]([NH:19][C:20](=[O:21])[c:22]3[cH:23][cH:24][cH:25][c:26]4[c:27]3[n:28][c:29](-[c:31]3[cH:32][cH:33][c:34]([I:37])[cH:35][cH:36]3)[o:30]4)[CH:14]([CH2:15][CH2:16]1)[CH2:17][CH2:18]2.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[Zn+2:44]>>[C:2](#[C:3][CH3:4])[c:34]1[cH:33][cH:32][c:31](-[c:29]2[n:28][c:27]3[c:22]([C:20]([NH:19][CH:13]4[CH2:12][N:11]5[CH2:16][CH2:15][CH:14]4[CH2:17][CH2:18]5)=[O:21])[cH:23][cH:24][cH:25][c:26]3[o:30]2)[cH:36][cH:35]1