HRID1549374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID3614199

5-Methyl-2-pyridinesulfonamide

C6H8N2O2S

结构：CCc1nc(-c2ccccc2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1

HCID22291379

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2ccccc2)cn1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cn2)cc1

HCID10239024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51a2850dd2b94bf29b92dda29342a91b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH3:2])[c:3]1[n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23]([O:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:18][cH:19]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1.[CH2:43]1[CH2:44][CH2:45][C:46]2=[N:51][CH2:50][CH2:49][CH2:48][N:47]2[CH2:52][CH2:53]1.[CH3:32][c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[NH2:42])[n:37][cH:38]1.[CH3:54][C:55]#[N:56]>>[CH2:1]([CH3:2])[c:3]1[n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23](=[O:31])[NH:42][S:39]([c:36]3[cH:35][cH:34][c:33]([CH3:32])[cH:38][n:37]3)(=[O:40])=[O:41])[cH:18][cH:19]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1