HRID118114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID31268

Pyrrolidine

C4H9N

HCID2724942

未命名化合物

反应SMILES：CC(C)[Si](OCCC1(CC=O)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(CC2CC2)C1=O)(C(C)C)C(C)C

HCID76834617

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)[Si](OCCC1(CCN2CCCC2)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(CC2CC2)C1=O)(C(C)C)C(C)C

HCID178460982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f98204e02b6d49a882979ec8c0af8158
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:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH2:42]1[CH2:43][CH2:44][NH:45][CH2:46]1.[CH3:61][C:62](=[O:63])[OH:64].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH2:26][CH2:27][O:28][Si:29]([CH:30]([CH3:31])[CH3:32])([CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38])([CH2:39][CH:40]=[O:41])[C:11](=[O:25])[N:12]([CH2:21][CH:22]3[CH2:23][CH2:24]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[Cl:65][CH2:66][CH2:67][Cl:68].[Na+:60].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH2:26][CH2:27][O:28][Si:29]([CH:30]([CH3:31])[CH3:32])([CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38])([CH2:39][CH2:40][N:45]3[CH2:44][CH2:43][CH2:42][CH2:46]3)[C:11](=[O:25])[N:12]([CH2:21][CH:22]3[CH2:23][CH2:24]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1