HRID1212515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID14817

Phosphorus pentasulfide

P4S10

结构：Cc1nn(C)c(C)c1C(=O)Nc1cccc2c1C(C)CC2(C)C

HCID14127884

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(C)c1C(=S)Nc1cccc2c1C(C)CC2(C)C

HCID14535776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4490dcec8a514a3e9b14e1ed5004989f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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