HRID103958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11667

Ethanesulfonyl chloride

C2H5ClO2S

结构：NCc1csc2c1S(=O)(=O)N=C(c1c(O)c3ccccc3n(NCC3CC3)c1=O)N2

HCID136358494

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NCc1csc2c1S(=O)(=O)N=C(c1c(O)c3ccccc3n(NCC3CC3)c1=O)N2

HCID136347271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd84d700c85d45f88e8ffdb629170f35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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