HRID96900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

结构：O=C(c1c(I)nc(-c2cccc(C(F)(F)F)c2)n1C1CC1)N1CCC(N2CCCC2)CC1

HCID57541116

未命名化合物

PRODUCTS

生成物

结构：O=C(c1c(-c2ccncc2)nc(-c2cccc(C(F)(F)F)c2)n1C1CC1)N1CCC(N2CCCC2)CC1

HCID57541085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9976595ae2bb4f0e8a2c5e55568ecdb1
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

[CH:1]1([n:4]2[c:5](-[c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)[n:6][c:7]([I:22])[c:8]2[C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([N:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[CH2:15][CH2:16]2)[CH2:2][CH2:3]1.[n:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1>>[CH:1]1([n:4]2[c:5](-[c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)[n:6][c:7](-[c:36]3[cH:35][cH:34][n:33][cH:38][cH:37]3)[c:8]2[C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([N:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[CH2:15][CH2:16]2)[CH2:2][CH2:3]1