HRID670304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID10006

2,4-Imidazolidinedione

C3H4N2O2

结构：O=Cc1cnn2c(SCc3ccccc3)cc(Nc3cccc(Cl)c3)nc12

HCID58313896

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(=O)C(=Cc2cnn3c(SCc4ccccc4)cc(Nc4cccc(Cl)c4)nc23)N1

HCID178518518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03af4559e7184ad4837e7d82e309ce5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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