HRID1215340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67548558

未命名化合物

结构：CCOC1CN(c2cccc(C(=O)OC(C)(C)C)c2)CCC1N

HCID68417430

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(c2cccc(C(=O)OC(C)(C)C)c2)CCC1NC(=O)c1nc(C(F)(F)F)c(CC)[nH]1

HCID68418710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-836109ed74c44f2497620cbff15478dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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