HRID1545463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15718789

未命名化合物

结构：COc1cc(C(=O)N2CCC(CCOS(C)(=O)=O)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC

HCID18464791

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5[nH]4)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC

HCID22009216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e0b8b72027745e08b8ac106344ccc7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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