HRID1226536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID3283

Diethyl Ether

C4H10O

HCID6395

Methanesulfonic acid

CH4O3S

结构：Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n1-c1ccccc1

HCID44595039

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID44595039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff0b15def4724fc98d4b21d8e04950c8
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

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