HRID1224659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID709161

未命名化合物

结构：COc1cc(NC(=O)OC(C)(C)C)cc2c1nc(C(F)F)n2-c1nc(Cl)nc(N2CCOCC2)n1

HCID86645852

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)OC(C)(C)C)cc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(S(C)(=O)=O)CC2)n1

HCID66698055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8c574d76ea84e3591c7c94edba83528
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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