HRID138217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID2777551

6-(Trifluoromethyl)nicotinic acid

C7H4F3NO2

HCID69367986

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2CCC3CN(C(=O)c4ccc(C(F)(F)F)nc4)CCN32)c(C)c1C

HCID178488498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0585cd4a7f4d4497a709addc72e4833d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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