HRID98336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID148683

5-Quinolinamine, 2-methyl-

C10H10N2

HCID520769

2-(Trifluoromethyl)oxirane

C3H3F3O

结构：Cc1ccc2c(N=Cc3cccc4c3OC(C)(C)C4)cccc2n1

HCID67136309

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cccc(N)c2cc1C(c1cccc2c1OC(C)(C)C2)C1(C(F)(F)F)CO1

HCID86618232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9177ac884c1c423fadb9e9133e338a5d
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

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:13][C:14]1([CH3:36])[O:15][c:16]2[c:17]([cH:19][cH:20][cH:21][c:22]2[CH:23]=[N:24][c:25]2[c:26]3[cH:27][cH:28][c:29]([CH3:30])[n:31][c:32]3[cH:33][cH:34][cH:35]2)[CH2:18]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[F:37][C:38]([CH:39]1[CH2:40][O:41]1)([F:42])[F:43].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[cH:9][cH:10][cH:11]1>>[NH2:1][c:2]1[c:3]2[cH:4][c:5]([CH:23]([c:22]3[c:16]4[c:17]([cH:19][cH:20][cH:21]3)[CH2:18][C:14]([CH3:13])([CH3:36])[O:15]4)[C:39]3([C:38]([F:37])([F:42])[F:43])[CH2:40][O:41]3)[c:6]([CH3:12])[n:7][c:8]2[cH:9][cH:10][cH:11]1