HRID96748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID736860

4-Fluoro-N-methylbenzylamine

C8H10FN

HCID3857668

N-[4-(difluoromethoxy)benzyl]-N-methylamine

C9H11F2NO

结构：Cc1nc(-c2cncc(I)n2)sc1C(=O)NCc1ccc(F)cc1

HCID86645558

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cncc(N(C)Cc3ccc(OC(F)F)cc3)n2)sc1C(=O)NCc1ccc(F)cc1

HCID24955765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e298bb6207b4791bf4f6610418bcd6d
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

[F:11][CH:12]([O:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][NH:19][CH3:20])[cH:21][cH:22]1)[F:23].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][CH3:8])[cH:9][cH:10]1.[F:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][NH:30][C:31](=[O:32])[c:33]2[c:34]([CH3:45])[n:35][c:36](-[c:38]3[n:39][c:40]([I:44])[cH:41][n:42][cH:43]3)[s:37]2)[cH:46][cH:47]1>>[F:11][CH:12]([O:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][N:19]([CH3:20])[c:40]2[n:39][c:38](-[c:36]3[n:35][c:34]([CH3:45])[c:33]([C:31]([NH:30][CH2:29][c:28]4[cH:27][cH:26][c:25]([F:24])[cH:47][cH:46]4)=[O:32])[s:37]3)[cH:43][n:42][cH:41]2)[cH:21][cH:22]1)[F:23]