HRID288838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID888

Magnesium cation

Mg+2

2 次

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID104812

Orthosilicate

O4Si-4

HCID166653

Hydride

H-

结构：COc1cc2c(cc1OC)CN(CCCCCCC(Sc1ccc(C)cc1)c1ccc(OC)c(OCCCl)c1)CC2

HCID10769844

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CN(CCCCCCC(Sc1ccc(C)cc1)c1ccc(OC)c(OCCn3ccnc3)c1)CC2

HCID10841697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49a51c32d3db4261b11de3aaa3a04a1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl:10][CH2:11][CH2:12][O:13][c:14]1[cH:15][c:16]([CH:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][N:29]2[CH2:30][c:31]3[cH:32][c:33]([O:41][CH3:42])[c:34]([O:39][CH3:40])[cH:35][c:36]3[CH2:37][CH2:38]2)[S:43][c:44]2[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]2)[cH:17][cH:18][c:19]1[O:20][CH3:21].[H-:6].[I-:9].[Mg+2:56].[Mg+2:57].[Na+:7].[Na+:8].[Si:51]([O-:52])([O-:53])([O-:54])[O-:55].[nH:1]1[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:11][CH2:12][O:13][c:14]2[cH:15][c:16]([CH:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][N:29]3[CH2:30][c:31]4[cH:32][c:33]([O:41][CH3:42])[c:34]([O:39][CH3:40])[cH:35][c:36]4[CH2:37][CH2:38]3)[S:43][c:44]3[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]3)[cH:17][cH:18][c:19]2[O:20][CH3:21])[cH:2][n:3][cH:4][cH:5]1