HRID688006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2762747

2,6-Difluoropyridine-4-boronic acid

C5H4BF2NO2

结构：CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

HCID23650837

2-Chloro-6-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine

C16H22ClN5O3S2

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cc(F)nc(F)c4)nc(N4CCOCC4)c3s2)CC1

HCID66934035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a39afe9f02814cbbacabe51c242946bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Cl:1][c:2]1[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1)[s:10]2.[F:28][c:29]1[n:30][c:31]([F:38])[cH:32][c:33]([B:35]([OH:36])[OH:37])[cH:34]1>>[c:2]1(-[c:33]2[cH:32][c:31]([F:38])[n:30][c:29]([F:28])[cH:34]2)[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1)[s:10]2