HRID214603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57440411

未命名化合物

HCID178489815

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)N(C)C(C)C4)cc3)[nH]n2)cc(OC)c1

HCID178489764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ad9900f445941b190fd9973c9a3922d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:25][O:26][c:27]1[cH:28][c:29]([CH2:35][CH2:36][c:37]2[cH:38][c:39]([NH2:42])[nH:40][n:41]2)[cH:30][c:31]([O:33][CH3:34])[cH:32]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:5][CH:6]1[CH2:7][N:8]([c:14]2[cH:15][cH:16][c:17]([C:18]([O:20][CH2:19][CH3:21])=[O:22])[cH:23][cH:24]2)[CH2:9][CH:10]([CH3:13])[N:11]1[CH3:12]>>[CH3:5][CH:6]1[CH2:7][N:8]([c:14]2[cH:15][cH:16][c:17]([C:18](=[O:20])[NH:42][c:39]3[cH:38][c:37]([CH2:36][CH2:35][c:29]4[cH:28][c:27]([O:26][CH3:25])[cH:32][c:31]([O:33][CH3:34])[cH:30]4)[n:41][nH:40]3)[cH:23][cH:24]2)[CH2:9][CH:10]([CH3:13])[N:11]1[CH3:12]