HRID90929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734321

[1-(tert-Butoxycarbonyl)-1H-pyrrol-2-yl]boronic acid

C9H14BNO4

结构：CC(C)(C)OC(=O)N1CCN(c2c(C=O)c3ccccc3n2-c2ccc(I)cc2)CC1

HCID11752925

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2c(C=O)c3ccccc3n2-c2ccc(-c3cccn3C(=O)OC(C)(C)C)cc2)CC1

HCID11376549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41802950e6b4497da32edd57cf2aedaa
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15](-[c:25]3[cH:26][cH:27][c:28]([I:31])[cH:29][cH:30]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[c:22]2[CH:23]=[O:24])[CH2:12][CH2:13]1.[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[n:39]1[c:40]([B:44]([OH:45])[OH:46])[cH:41][cH:42][cH:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15](-[c:25]3[cH:26][cH:27][c:28](-[c:40]4[n:39]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[cH:43][cH:42][cH:41]4)[cH:29][cH:30]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[c:22]2[CH:23]=[O:24])[CH2:12][CH2:13]1