HRID1233786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID32051

Zinc (II) cation

Zn+2

HCID53425699

3-Iodo-6-methoxy-2-(trifluoromethyl)pyridine

C7H5F3INO

HCID178418306

未命名化合物

结构：CCOC1CN(C(=O)OCc2ccccc2)CC1Nc1nc(CC)c(I)nc1CC

HCID178467215

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(C(=O)OCc2ccccc2)CC1Nc1nc(CC)c(-c2ccc(OC)nc2C(F)(F)F)nc1CC

HCID178467211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01187c33170c4158bf94037cac95d606
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:14]([Li:15])([CH3:16])([CH3:17])[CH3:18].[C:49](=[O:50])([OH:51])[O-:52].[CH2:19]([CH3:20])[c:21]1[c:22]([NH:30][CH:31]2[CH2:32][N:33]([C:39](=[O:40])[O:41][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[CH2:34][CH:35]2[O:36][CH2:37][CH3:38])[n:23][c:24]([CH2:28][CH3:29])[c:25]([I:27])[n:26]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[Cl-:59].[Cl-:61].[I:1][c:2]1[c:3]([C:10]([F:11])([F:12])[F:13])[n:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[Na+:53].[Zn+2:60]>>[c:2]1(-[c:25]2[c:24]([CH2:28][CH3:29])[n:23][c:22]([NH:30][CH:31]3[CH2:32][N:33]([C:39](=[O:40])[O:41][CH2:42][c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[CH2:34][CH:35]3[O:36][CH2:37][CH3:38])[c:21]([CH2:19][CH3:20])[n:26]2)[c:3]([C:10]([F:11])([F:12])[F:13])[n:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1