HRID1552353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8022

Ethyl isocyanate

C3H5NO

HCID8857

Ethyl acetate

C4H8O2

结构：CCc1n[nH]c2cc(-c3ccnn3-c3ccc(S(C)(=O)=O)cc3)ccc12

HCID178437987

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)n1nc(CC)c2ccc(-c3ccnn3-c3ccc(S(C)(=O)=O)cc3)cc21

HCID59810789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-638627b85f7144c886ba947c8fa5d102
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

[CH2:6]([CH3:7])[c:8]1[n:9][nH:10][c:11]2[cH:12][c:13](-[c:17]3[cH:18][cH:19][n:20][n:21]3-[c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[cH:14][cH:15][c:16]12.[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[N:1](=[C:2]=[O:3])[CH2:4][CH3:5].[OH2:32].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[NH:1]([C:2](=[O:3])[n:10]1[n:9][c:8]([CH2:6][CH3:7])[c:16]2[c:11]1[cH:12][c:13](-[c:17]1[cH:18][cH:19][n:20][n:21]1-[c:22]1[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]1)[cH:14][cH:15]2)[CH2:4][CH3:5]