HRID172149

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

HCID68417387

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc(N2CCC(NC(=O)c3nc(C(F)(F)F)c(CC)[nH]3)C(OC)C2)sc1C

HCID68414826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44c49f64e1c44cab84d11bd27000a3c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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