HRID1205725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID45489910

5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-amine

C12H20N4

结构：CCOC(=O)c1ccc(-c2cc(OC)cc(OC)c2)c2nccnc12

HCID66914690

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(OC)cc(OC)c4)c4nccnc34)nc2)CC1

HCID59292958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b91c761b56384267bb050855f9c12f73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:30]([CH3:31])[N:32]1[CH2:33][CH2:34][N:35]([CH2:38][c:39]2[cH:40][cH:41][c:42]([NH2:45])[n:43][cH:44]2)[CH2:36][CH2:37]1.[CH2:5]([O:7][C:8](=[O:6])[c:10]1[c:11]2[n:12][cH:13][cH:14][n:15][c:16]2[c:17](-[c:20]2[cH:21][c:22]([O:28][CH3:29])[cH:23][c:24]([O:26][CH3:27])[cH:25]2)[cH:18][cH:19]1)[CH3:9].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[OH2:46]>>[O:7]=[C:8]([c:10]1[c:11]2[n:12][cH:13][cH:14][n:15][c:16]2[c:17](-[c:20]2[cH:21][c:22]([O:28][CH3:29])[cH:23][c:24]([O:26][CH3:27])[cH:25]2)[cH:18][cH:19]1)[NH:45][c:42]1[cH:41][cH:40][c:39]([CH2:38][N:35]2[CH2:34][CH2:33][N:32]([CH2:30][CH3:31])[CH2:37][CH2:36]2)[cH:44][n:43]1