HRID673064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID82115

Silanecarbonitrile, trimethyl-

C4H9NSi

HCID15917496

4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride

C9H11ClO3S

结构：CC(C)(C)OC(=O)C(N)CN1C(=O)c2ccccc2C1=O

HCID22596270

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)NC(CN2C(=O)c3ccccc3C2=O)C(=O)OC(C)(C)C)c(C)c1

HCID178491765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00b2d56ab3e84c3b8c8f49ff52ef9ec4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][N:9]1[C:10](=[O:19])[c:11]2[c:12]([cH:15][cH:16][cH:17][cH:18]2)[C:13]1=[O:14])[NH2:20])=[O:21].[CH3:22][Si:23]([C:24]#[N:25])([CH3:26])[CH3:27].[CH3:28][c:29]1[c:30]([S:38](=[O:39])(=[O:40])[Cl:41])[c:31]([CH3:37])[cH:32][c:33]([O:35][CH3:36])[cH:34]1.[CH3:43][C:44]#[N:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[ClH:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][N:9]1[C:10](=[O:19])[c:11]2[c:12]([cH:15][cH:16][cH:17][cH:18]2)[C:13]1=[O:14])[NH:20][S:38]([c:30]1[c:29]([CH3:28])[cH:34][c:33]([O:35][CH3:36])[cH:32][c:31]1[CH3:37])(=[O:39])=[O:40])=[O:21]