HRID90681

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6329

Methylamine

CH5N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(NC(=O)n2ccc3cc(Oc4cc(C=O)ncn4)ccc32)cc(C(F)(F)F)c1

HCID59394097

未命名化合物

PRODUCTS

生成物

结构：CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(OC)cc(C(F)(F)F)c3)c2)ncn1

HCID59394427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-738ddc22d9c34696a05f1b83885a27cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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