HRID202248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID10906

tert-Butyl nitrite

C4H9NO2

结构：CC(C)(C)OC(=O)CON=C(C(=O)OC(c1ccccc1)c1ccccc1)c1nsc(N)n1

HCID54536722

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CON=C(C(=O)OC(c1ccccc1)c1ccccc1)c1ncsn1

HCID54175448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-840804a1ae4c4738bd570a259d17169c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[CH2:15][O:16][N:17]=[C:18]([C:19](=[O:20])[O:21][CH:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[c:35]1[n:36][s:37][c:38]([NH2:40])[n:39]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[N:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])=[O:7].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:47]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[CH2:15][O:16][N:17]=[C:18]([C:19](=[O:20])[O:21][CH:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[c:35]1[n:36][s:37][cH:38][n:39]1