HRID1550038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID11667

Ethanesulfonyl chloride

C2H5ClO2S

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C4(CC#N)CNC4)c3)ncnc21

HCID57868855

未命名化合物

PRODUCTS

产物

反应SMILES：CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)cn2)C1

HCID57868865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4cec1c40f25c4e2aaf597c20d13cdba8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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