HRID2314507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)cnc3F)nc(C)n2)cc1

HCID66600288

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc(CN4CCN(S(C)(=O)=O)CC4)cnc3F)nc(C)n2)cc1

HCID66600197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05d5a8ff60db4e80a5bae2bfaaef38b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:62][S:63]([Cl:64])(=[O:65])=[O:66].[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[cH:17][c:18](-[c:23]3[cH:24][c:25]([CH2:30][N:31]4[CH2:32][CH2:33][N:34]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:35][CH2:36]4)[cH:26][n:27][c:28]3[F:29])[n:19][c:20]([CH3:22])[n:21]2)[CH2:44][c:45]2[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]2)[cH:53][cH:54]1.[Cl:67][CH2:68][Cl:69].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[cH:17][c:18](-[c:23]3[cH:24][c:25]([CH2:30][N:31]4[CH2:32][CH2:33][N:34]([S:63]([CH3:62])(=[O:65])=[O:66])[CH2:35][CH2:36]4)[cH:26][n:27][c:28]3[F:29])[n:19][c:20]([CH3:22])[n:21]2)[CH2:44][c:45]2[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]2)[cH:53][cH:54]1