HRID671447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID77813

2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl-

C7H10O3

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

HCID25117948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88f3bd0019244d08bc5056b64e45fa37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:32][C:33]1([CH3:41])[CH2:34][C:35](=[O:40])[O:36][C:37](=[O:39])[CH2:38]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][S:50]([CH3:51])=[O:52].[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:37]([CH2:38][C:33]([CH3:32])([CH2:34][C:35](=[O:36])[OH:40])[CH3:41])=[O:39])[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