HRID318486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21091408

未命名化合物

结构：NC1CN(CC(F)(F)F)c2ccccc2N(CCOCc2ccccc2)C1=O

HCID59718680

未命名化合物

PRODUCTS

生成物

结构：CC(O)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)NC1CN(CC(F)(F)F)c2ccccc2N(CCOCc2ccccc2)C1=O

HCID59718690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-694d2d22a6a54628aee905117427cbf9
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

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