HRID1201969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID3157455

3-acetamidobenzene-1-sulfonyl chloride

C8H8ClNO3S

结构：CC(C)(CCC#N)CNCC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12

HCID20706536

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cccc(S(=O)(=O)N(CC(O)C(Cc2ccccc2)NC(=O)OC2COC3OCCC23)CC(C)(C)CCC#N)c1

HCID20706544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d68072d18754047806ef01b20d88426
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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