HRID2314727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9864

Cyanamide

CH2N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)C(=O)O)C12C(=O)Nc1cc(Cl)ccc12

HCID76568015

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)C(=O)NC#N)C12C(=O)Nc1cc(Cl)ccc12

HCID74928460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9f6a41204a5440a87008b70a1230f41
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

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