HRID2138495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID11066000

未命名化合物

结构：CCOC(=O)C1CCN(c2ccc(N)c(C(=O)N(C)C)c2)CC1

HCID66676944

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)CC1

HCID66677097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac09906c3f6d423c858ffabcea1eb793
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][c:14]([C:19]([N:20]([CH3:21])[CH3:22])=[O:23])[c:15]([NH2:18])[cH:16][cH:17]2)[CH2:10][CH2:11]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[F:31][C:32]([c:33]1[cH:34][cH:35][c:36](-[c:39]2[c:40]([C:45](=[O:46])[Cl:47])[cH:41][cH:42][cH:43][cH:44]2)[cH:37][cH:38]1)([F:48])[F:49]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][c:14]([C:19]([N:20]([CH3:21])[CH3:22])=[O:23])[c:15]([NH:18][C:45]([c:40]3[c:39](-[c:36]4[cH:35][cH:34][c:33]([C:32]([F:31])([F:48])[F:49])[cH:38][cH:37]4)[cH:44][cH:43][cH:42][cH:41]3)=[O:46])[cH:16][cH:17]2)[CH2:10][CH2:11]1