HRID159473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID95576

Propanoic acid, 2-bromo-, methyl ester

C4H7BrO2

结构：CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1

HCID44631912

Ribociclib

C23H30N8O

PRODUCTS

生成物

结构：COC(=O)C(C)N1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1

HCID58315412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49e7dd8ab4c3445d9fb6719d4058f1f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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