HRID2145352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID57355538

4-Ethyl-3-(3-methoxypropoxy)benzoic acid

C13H18O4

结构：CC(C)NCC1CN(C(=O)OC(C)(C)C)CC1C(C)(C)O[SiH2]C(C)(C)C

HCID178457091

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2C(C)(C)O[SiH2]C(C)(C)C)C(C)C)cc1OCCCOC

HCID178436457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7dbe996f34f4d77999f6ed68ffb1686
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:18]([O:19][SiH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:25])[CH3:26])[CH:11]([CH2:13][NH:14][CH:15]([CH3:16])[CH3:17])[CH2:12]1.[CH2:27]([CH3:28])[c:29]1[c:30]([O:38][CH2:39][CH2:40][CH2:41][O:42][CH3:43])[cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][C:52]#[N:53].[OH2:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:18]([O:19][SiH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:25])[CH3:26])[CH:11]([CH2:13][N:14]([CH:15]([CH3:16])[CH3:17])[C:33]([c:32]2[cH:31][c:30]([O:38][CH2:39][CH2:40][CH2:41][O:42][CH3:43])[c:29]([CH2:27][CH3:28])[cH:37][cH:36]2)=[O:34])[CH2:12]1