HRID1116333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID21363

Cyclohexaneacetic acid

C8H14O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

反应SMILES：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4N)ncn3)cccc2s1

HCID21865046

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)CC4CCCCC4)ncn3)cccc2s1

HCID21865179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-aaf093a69e894c61a5a9151ad9fbd11e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:63][C:64](=[O:65])[CH3:66].[Cl:11][C:12]([C:13]([Cl:14])=[O:15])=[O:16].[Cl:55][CH2:56][Cl:57].[NH2:17][c:18]1[c:19](-[c:28]2[cH:29][c:30]([O:34][c:35]3[cH:36][cH:37][cH:38][c:39]4[c:40]3[n:41][c:42]([NH:44][C:45]([CH3:46])=[O:47])[s:43]4)[n:31][cH:32][n:33]2)[cH:20][cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:1][C:2](=[O:3])[CH2:4][CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1>>[C:2](=[O:3])([CH2:4][CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1)[NH:17][c:18]1[c:19](-[c:28]2[cH:29][c:30]([O:34][c:35]3[cH:36][cH:37][cH:38][c:39]4[c:40]3[n:41][c:42]([NH:44][C:45]([CH3:46])=[O:47])[s:43]4)[n:31][cH:32][n:33]2)[cH:20][cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1