HRID303232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID585835

2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine

C8H15N3

结构：CCC(=O)NC1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)C(O)C1O

HCID87240175

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)NC1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4cn(C(C)C)cn4)nc32)C(O)C1O

HCID178460063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e5cd9ee1b6c46ec862c81cba8f64eb1
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

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