HRID686697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

HCID728670

4-Pyridinamine, 2-methyl-

C6H8N2

结构：CC(C)(C)OC(=O)N1CCN(Cc2cccc(N)c2F)CC1

HCID58919232

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)Nc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2F)ccn1

HCID58919226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8725445107a24d4ab0fdb1ae1aefdc34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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