HRID1235801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID67561

alpha,alpha,alpha-Trifluoro-o-toluoyl chloride

C8H4ClF3O

反应SMILES：NC1C2CN(c3ccc(C(=O)NCCC4CC4)nn3)CC12

HCID67172284

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NCCC1CC1)c1ccc(N2CC3C(C2)C3NC(=O)c2ccccc2C(F)(F)F)nn1

HCID67172219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c2145894a6a34577a34a45c219dfb396
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

[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH:1]1([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][n:11][c:12]([N:15]3[CH2:16][CH:17]4[CH:18]([NH2:21])[CH:19]4[CH2:20]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1.[Cl:43][CH2:44][Cl:45].[F:22][C:23]([c:24]1[c:25]([C:26](=[O:27])[Cl:28])[cH:29][cH:30][cH:31][cH:32]1)([F:33])[F:34].[OH2:42]>>[CH:1]1([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][n:11][c:12]([N:15]3[CH2:16][CH:17]4[CH:18]([NH:21][C:26]([c:25]5[c:24]([C:23]([F:22])([F:33])[F:34])[cH:32][cH:31][cH:30][cH:29]5)=[O:27])[CH:19]4[CH2:20]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1