HRID208909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

结构：CC(C)(C)OC(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]nc(I)c23)CC1

HCID178452208

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(I)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(-c4ccccc4)cnc32)cc1

HCID68760648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0262915b603c4350b6699cffe549a696
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1.[I:11][c:12]1[n:13][nH:14][c:15]2[n:16][cH:17][c:18](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:19]([N:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]3)[c:20]12.[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1)[n:14]1[n:13][c:12]([I:11])[c:20]2[c:15]1[n:16][cH:17][c:18](-[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:19]2[N:21]1[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]1