HRID2319690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69592816

未命名化合物

结构：CC(C)(C)OC(=O)Nc1cc(N2CCSCC2)c(C(F)(F)F)cc1N

HCID69780198

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(N2CCSCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1ccnc(C#N)c1

HCID11455616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1618edd6b91470db7aaf3332efcb77e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][S:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33](=[O:34])[c:35]1[cH:36][c:37]([C:41]#[N:42])[n:38][cH:39][cH:40]1)[CH3:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33](=[O:34])[c:35]2[cH:36][c:37]([C:41]#[N:42])[n:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][S:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25]