HRID163367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID12446309

N-Ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine

C10H23N

结构：CC(C)(C)OC(=O)NC(COc1cc(C#N)ccc1I)Cc1ccc(OC2CCN(C(=O)OCc3ccccc3)CC2)cc1

HCID178453733

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(I)c(OCC(Cc2ccc(OC3CCN(C(=O)OCc4ccccc4)CC3)cc2)NS(=O)(=O)c2ccccc2)c1

HCID178509893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-145404942be54144b19ea2f4bfa9b353
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([O:17][c:18]2[cH:19][cH:20][c:21]([CH2:24][CH:25]([CH2:26][O:27][c:28]3[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]3[I:36])[NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[cH:22][cH:23]2)[CH2:15][CH2:16]1.[CH2:45]([N:46]([CH2:47][CH3:48])[CH2:49][CH:50]([CH3:51])[CH3:52])[CH:53]([CH3:54])[CH3:55].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[ClH:72].[O:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[c:56]1([S:62](=[O:63])(=[O:64])[Cl:65])[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([O:17][c:18]2[cH:19][cH:20][c:21]([CH2:24][CH:25]([CH2:26][O:27][c:28]3[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]3[I:36])[NH:37][S:62]([c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)(=[O:63])=[O:64])[cH:22][cH:23]2)[CH2:15][CH2:16]1