HRID2313382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12982

2-Bromofluoroethane

C2H4BrF

结构：CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1NC1c2ccccc2CC1O

HCID22147280

未命名化合物

结构：CCOC1Cc2ccccc2C1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC

HCID22147310

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1NC1c2ccccc2CC1OCCF

HCID22147350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46b7fde271dc4e1a9af9f30b993ee147
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

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