HRID109021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7504

Benzylamine

C7H9N

HCID178504618

未命名化合物

PRODUCTS

产物

HCID178452777

{4-[3-(2-benzylamino-pyrimidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino]-cyclohexyl}-carbamic acid tert-butyl ester

C27H33N9O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d040b5c3df7a4dee9b3ba664d833525a
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]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[nH:21][n:22][c:23]3-[c:24]2[n:25][c:26]([S:30]([CH3:31])=[O:32])[n:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:33].[NH2:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[nH:21][n:22][c:23]3-[c:24]2[n:25][c:26]([NH:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[n:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:33]