HRID2344384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：CC(C)(C)c1cccc(C2(NCC(O)C(Cc3cc(F)cc(F)c3)Nc3ccnc(Cl)n3)CCCCC2)c1

HCID59599241

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1cccc(C2(NCC(O)C(Cc3cc(F)cc(F)c3)Nc3ccncn3)CCCCC2)c1

HCID59599213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f45edca10346496f918e649a16603cdb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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