HRID2154291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81514

Butanoyl chloride, 3,3-dimethyl-

C6H11ClO

结构：Cc1cc(Nc2ncnc3cnc(N4CCOCC4)cc23)ccc1OC1CCNCC1

HCID69057517

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2ncnc3cnc(N4CCOCC4)cc23)ccc1OC1CCN(C(=O)CC(C)(C)C)CC1

HCID44426279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9cd6ea451eb496eb5e3df675d063851
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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