HRID302745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID2735182

4-(Methanesulfonyl)benzene-1-sulfonyl chloride

C7H7ClO4S2

结构：CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(N)ccc3N2)c(O)c2cccnc21

HCID135430710

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)c4ccc(S(C)(=O)=O)cc4)ccc3N2)c(O)c2cccnc21

HCID136358507

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6d7a7cfe9684bcab6f9c1105013726a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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