HRID1239201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID69520

3-Methylhistamine

C6H11N3

结构：COc1cc2c(nc1OC)c(-c1cc3c(C=O)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

HCID86618635

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(nc1OC)c(-c1cc3c(CNCCc4cncn4C)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

HCID68469651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0862b2e93250445887b3f65c8710566e
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

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