HRID296026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID66589803

未命名化合物

HCID178489815

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCc2cc(NC(=O)c3cnc(N4CCCN(C(C)C)CC4)nc3)[nH]n2)cc(OC)c1

HCID178489792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8ad7da5d6354c13a9aa7c2ea9fc99f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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]([CH3:7])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16][cH:17][c:18]([C:21]([O:23][CH3:22])=[O:24])[cH:19][n:20]2)[CH2:12][CH2:13][CH2:14]1>>[CH3:5][CH:6]([CH3:7])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16][cH:17][c:18]([C:21](=[O:23])[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:19][n:20]2)[CH2:12][CH2:13][CH2:14]1