HRID180746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID7856

Chloroacetonitrile

C2H2ClN

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C

HCID590018

TBDMS ether

C12H30OSi2

结构：CCN(CC)C(=O)c1ccc(C(c2cccc(O)c2)N2CC(C)NCC2C)cc1

HCID22350018

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc(C(c2cccc(O)c2)N2CC(C)N(CC#N)CC2C)cc1

HCID76475543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-615e68e62ea14ced90b38d55fc76fdb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:30]([Si:31]([O:32][Si:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[CH3:39])([CH3:40])[CH3:41])([CH3:42])([CH3:43])[CH3:44].[CH3:1][CH:2]1[N:3]([CH:9]([c:10]2[cH:11][c:12]([OH:16])[cH:13][cH:14][cH:15]2)[c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[N:23]([CH2:24][CH3:25])[CH2:26][CH3:27])[cH:28][cH:29]2)[CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1.[Cl:45][CH2:46][C:47]#[N:48].[I-:56].[Na+:49].[Na+:50].[Na+:55].[O-:51][C:52](=[O:53])[O-:54].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[CH3:1][CH:2]1[N:3]([CH:9]([c:10]2[cH:11][c:12]([OH:16])[cH:13][cH:14][cH:15]2)[c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[N:23]([CH2:24][CH3:25])[CH2:26][CH3:27])[cH:28][cH:29]2)[CH2:4][CH:5]([CH3:8])[N:6]([CH2:46][C:47]#[N:48])[CH2:7]1