HRID313109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID2736733

2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester

C6H5ClO4S2

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：COC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cccnc3n(CCC(C)C)c1=O)N2

HCID136358508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4b3a4f89adc49129b4ad1afb10bbee1
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

[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[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].[O:31]([CH3:32])[C:33](=[O:34])[c:35]1[s:36][cH:37][cH:38][c:39]1[S:40](=[O:41])(=[O:42])[Cl:43].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]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:40]([c:39]1[c:35]([C:33]([O:31][CH3:32])=[O:34])[s:36][cH:37][cH:38]1)(=[O:41])=[O:42]