HRID215291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

HCID1783

Capravirine

C20H20Cl2N4O2S

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

PRODUCTS

生成物

结构：CC(C)c1nc(COC(=O)NCN2CCOCC2)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

HCID478200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9aa00a57b2a6498fa3178da2c02fa52b
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:1]([NH2:2])([O:3][CH2:4][c:5]1[n:6]([CH2:22][c:23]2[cH:24][cH:25][n:26][cH:27][cH:28]2)[c:7]([S:13][c:14]2[cH:15][c:16]([Cl:21])[cH:17][c:18]([Cl:20])[cH:19]2)[c:8]([CH:10]([CH3:11])[CH3:12])[n:9]1)=[O:29].[CH2:30]1[CH2:31][O:32][CH2:33][CH2:34][NH:35]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41]>>[C:1]([NH:2][CH2:36][N:35]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1)([O:3][CH2:4][c:5]1[n:6]([CH2:22][c:23]2[cH:24][cH:25][n:26][cH:27][cH:28]2)[c:7]([S:13][c:14]2[cH:15][c:16]([Cl:21])[cH:17][c:18]([Cl:20])[cH:19]2)[c:8]([CH:10]([CH3:11])[CH3:12])[n:9]1)=[O:29]