HRID115239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID19354

Methyl vinyl sulfone

C3H6O2S

结构：Cc1cc(OC2CCNCC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1

HCID59452825

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OC2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1

HCID59452726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07083cd8266b493e9e3c39a13431cb1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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