HRID1214744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID66853

Benzenemethanamine, 3-fluoro-

C7H8FN

结构：CCOC(=O)c1c(CN(C)C)nc2cc(C(F)(F)F)ccc2c1C

HCID66584009

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)NCc2cccc(F)c2)c(CN(C)C)nc2cc(C(F)(F)F)ccc12

HCID56848083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96dd7d0fb7df4ba58365ec742114ea7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([O:3][C:4](=[O:2])[c:6]1[c:7]([CH2:21][N:22]([CH3:23])[CH3:24])[n:8][c:9]2[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[cH:12][cH:13][c:14]2[c:15]1[CH3:16])[CH3:5].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[F:25][c:26]1[cH:27][c:28]([CH2:29][NH2:30])[cH:31][cH:32][cH:33]1>>[O:3]=[C:4]([c:6]1[c:7]([CH2:21][N:22]([CH3:23])[CH3:24])[n:8][c:9]2[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[cH:12][cH:13][c:14]2[c:15]1[CH3:16])[NH:30][CH2:29][c:28]1[cH:27][c:26]([F:25])[cH:33][cH:32][cH:31]1