HRID165417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID81560

Methanesulfonic acid, 1,1'-anhydride

C2H6O5S2

反应SMILES：Cc1nn2ccc(CO)cc2c1C1=C(c2c[nH]c3c(C)cccc23)C(=O)NC1=O

HCID59192008

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nn2ccc(COS(C)(=O)=O)cc2c1C1=C(c2c[nH]c3c(C)cccc23)C(=O)NC1=O

HCID59192039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-04e6a76812f04baca6e81387a1462592
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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