HRID290066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1390

1-Methylimidazole

C4H6N2

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)[Si](C)(C)OC1CC(C=O)N(Cc2ccccc2)C1

HCID19971475

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：Cn1ccnc1C(O)C1CC(O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1

HCID178480590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b66200d4e48c45e481e7a467b51db8ac
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

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