HRID106038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C(F)(F)F)cc1N

HCID12048026

未命名化合物

HCID69592875

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-n2cnnc2)c1

HCID86586985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a156e582f404c1fb9730b79bf048cd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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