HRID1115297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2774533

4-fluoro-3-methoxyaniline

C7H8FNO

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cccnc3F)n2)cc1

HCID59548240

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cccnc3Nc3ccc(F)c(OC)c3)n2)cc1

HCID66611823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9daf21329f7d4cb98be7822e9c7c9af9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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