HRID310454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

结构：Cc1nsc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC3CNC3)cc2)n1

HCID69050567

未命名化合物

PRODUCTS

生成物

结构：Cc1nsc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC3CN(C(C)C)C3)cc2)n1

HCID25066600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccf369839eee4a23a3a1e8ca19b826c4
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

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