HRID1538574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6395

Methanesulfonic acid

CH4O3S

结构：CCOCCn1c(NC2CCN(CCC3(c4ccc(F)cc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21

HCID9810012

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID9810012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6051040017024ccea3af94dc2cf26c57
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]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30][c:31]5[c:32]([n:33]4[CH2:34][CH2:35][O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]5)[CH2:26][CH2:27]3)[CH2:11][CH2:12]2)[cH:43][c:44]([O:48][CH3:49])[c:45]1[O:46][CH3:47].[CH3:50][S:51]([OH:52])(=[O:53])=[O:54]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30][c:31]5[c:32]([n:33]4[CH2:34][CH2:35][O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]5)[CH2:26][CH2:27]3)[CH2:11][CH2:12]2)[cH:43][c:44]([O:48][CH3:49])[c:45]1[O:46][CH3:47].[CH3:50][S:51](=[O:52])(=[O:53])[OH:54]