HRID1538471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID18753363

未命名化合物

HCID23082060

Methyl [6-(trifluoromethyl)pyridin-3-yl]carbamate

C8H7F3N2O2

PRODUCTS

生成物

结构：COc1cc(N2CC(C)N(C(=O)Nc3ccc(C(F)(F)F)nc3)CC2C)ccc1C#N

HCID178493004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c48666884a94a8aa80d1ef2d7713ebd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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