HRID2161553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

反应SMILES：CC(C)(C)c1cc(CN2CCNCC2)cc(C(C)(C)C)c1

HCID18770224

未命名化合物

反应SMILES：COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2c2ccc(OCCCl)cc2)cc1

HCID22033222

未命名化合物

PRODUCTS

产物

反应SMILES：COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2c2ccc(OCCN3CCN(Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4)CC3)cc2)cc1

HCID22033064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ee6068c4b149421fb5369e943223af77
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

[C:36]([CH3:37])([CH3:38])([CH3:39])[c:40]1[cH:41][c:42]([CH2:50][N:51]2[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2)[cH:43][c:44]([C:46]([CH3:47])([CH3:48])[CH3:49])[cH:45]1.[C:57](=[O:58])([O-:59])[O-:60].[CH2:73]([N+:74]([CH2:75][CH2:76][CH2:77][CH3:78])([CH2:79][CH2:80][CH2:81][CH3:82])[CH2:83][CH2:84][CH2:85][CH3:86])[CH2:87][CH2:88][CH3:89].[CH3:63][C:64](=[O:65])[CH3:66].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[C:12]([CH3:25])([c:26]3[cH:27][cH:28][c:29]([O:32][CH2:33][O:34][CH3:35])[cH:30][cH:31]3)[CH2:13][O:14][c:15]3[cH:16][c:17]([O:21][CH2:22][O:23][CH3:24])[cH:18][cH:19][c:20]32)[cH:9][cH:10]1.[I-:72].[K+:61].[K+:62].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71]>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[C:12]([CH3:25])([c:26]3[cH:27][cH:28][c:29]([O:32][CH2:33][O:34][CH3:35])[cH:30][cH:31]3)[CH2:13][O:14][c:15]3[cH:16][c:17]([O:21][CH2:22][O:23][CH3:24])[cH:18][cH:19][c:20]32)[cH:9][cH:10]1)[N:54]1[CH2:53][CH2:52][N:51]([CH2:50][c:42]2[cH:41][c:40]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:45][c:44]([C:46]([CH3:47])([CH3:48])[CH3:49])[cH:43]2)[CH2:56][CH2:55]1