HRID304928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID87067

2,2-Dimethylsuccinic anhydride

C6H8O3

结构：O=C(Nc1ccc(OC2CCCNC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID57651879

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CC(=O)N1CCCC(Oc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)C1)C(=O)O

HCID25122927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f9315615bfe45d5bb2b309faf893854
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

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