HRID320595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID15728

3,4-Dichlorobenzyl alcohol

C7H6Cl2O

HCID68263

1,1'-Carbonyldiimidazole

C7H6N4O

HCID23081090

未命名化合物

PRODUCTS

产物

HCID9985318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5aa9c1992beb44c79073ad88c5dcaf84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:51]([n:52]1[cH:53][cH:54][n:55][cH:56]1)([n:57]1[cH:58][cH:59][n:60][cH:61]1)=[O:62].[CH2:63]([Cl:64])[Cl:65].[CH3:1][C:2]1([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]3)[cH:19][cH:20]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1.[Cl:41][c:42]1[cH:43][c:44]([CH2:45][OH:46])[cH:47][cH:48][c:49]1[Cl:50].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[CH3:1][C:2]1([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][CH2:45][c:44]4[cH:43][c:42]([Cl:41])[c:49]([Cl:50])[cH:48][cH:47]4)[CH2:25][CH2:26]3)[cH:19][cH:20]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1