HRID941216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：CN(C)CCCN(c1ccccc1C(=O)c1ccccc1)c1ncccc1N

HCID53769600

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCN1c2ccccc2C(c2ccccc2)=Nc2cccnc21

HCID54961

Tampramine

C23H24N4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39c2a7c57ae34b019325cdba17c47041
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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