HRID1124635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID11105589

未命名化合物

结构：O=C(O)c1ccc(Cn2nc(C3CCCCC3)cc2-c2ccc(OC(F)(F)F)cc2)cc1

HCID53323247

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(O)CNC(=O)c1ccc(Cn2nc(C3CCCCC3)cc2-c2ccc(OC(F)(F)F)cc2)cc1

HCID10007587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40891259fa4e46f48f3b4c9ee264d468
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:66]([Cl:67])[CH2:68][Cl:69].[CH:1]1([c:7]2[n:8][n:9]([CH2:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]3)[c:10](-[c:12]3[cH:13][cH:14][c:15]([O:18][C:19]([F:20])([F:21])[F:22])[cH:16][cH:17]3)[cH:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[ClH:43].[NH2:44][CH2:45][CH:46]([C:47](=[O:48])[O:49][CH3:50])[OH:51].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[CH:1]1([c:7]2[n:8][n:9]([CH2:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[NH:44][CH2:45][CH:46]([C:47](=[O:48])[O:49][CH3:50])[OH:51])[cH:31][cH:32]3)[c:10](-[c:12]3[cH:13][cH:14][c:15]([O:18][C:19]([F:20])([F:21])[F:22])[cH:16][cH:17]3)[cH:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1