HRID1118189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16295

tert-Pentylbenzene

C11H16

HCID24648

Sulfuryl chloride

Cl2O2S

结构：CC(C)(C)OC(=O)NC(=N)c1ccc2c(c1)C(CCN)CO2

HCID140448134

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)c1ccc(S(=O)(=O)NCCC2COc3ccc(C(=N)NC(=O)OC(C)(C)C)cc32)cc1

HCID140448137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3fa876fe3774aeb9d8b465aa13cf7b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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