HRID2158482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID28486

Lithium ion

Li+

结构：CNC(=O)C1CN(S(=O)(=O)c2cc3ccc(C#C[Si](C)(C)C)cc3s2)CCN1

HCID22710607

未命名化合物

HCID178422316

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C1CN(S(=O)(=O)c2cc3ccc(C#C[Si](C)(C)C)cc3s2)CCN1C(=O)c1nc2c(s1)CNC(C)C2

HCID22710415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd881c15b4384b898f98c6741c654894
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

[CH2:44]([N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53])[CH3:54].[CH2:60]([Cl:61])[Cl:62].[CH3:1][NH:2][C:3](=[O:4])[CH:5]1[CH2:6][N:7]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][c:16]3[c:17]([s:18]2)[cH:19][c:20]([C:23]#[C:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[cH:21][cH:22]3)[CH2:8][CH2:9][NH:10]1.[CH3:29][CH:30]1[CH2:31][c:32]2[c:33]([s:36][c:37]([C:39](=[O:40])[O-:41])[n:38]2)[CH2:34][NH:35]1.[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[ClH:43].[Li+:42]>>[CH3:1][NH:2][C:3](=[O:4])[CH:5]1[CH2:6][N:7]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][c:16]3[c:17]([s:18]2)[cH:19][c:20]([C:23]#[C:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[cH:21][cH:22]3)[CH2:8][CH2:9][N:10]1[C:39]([c:37]1[s:36][c:33]2[c:32]([n:38]1)[CH2:31][CH:30]([CH3:29])[NH:35][CH2:34]2)=[O:40]