HRID117625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID12019237

4-chloromethyl-2-(3,4,5-trimethoxyphenyl) pyridine

C15H16ClNO3

结构：COc1cc(-c2cc(CN3CCNCC3=O)ccn2)cc(OC)c1OC

HCID12019238

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc(-c2cc(CN3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)C(=O)C3)ccn2)cc(OC)c1OC

HCID10282496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d117016d4ea54003a880cc324b31947b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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