HRID95646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1nnc(C(C)(C)COCc2ccccc2)s1

HCID73063680

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1nnc(C(C)(C)CO)s1

HCID72983961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc17a52e74c543a3babda5248a01c6ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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