HRID143158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID19762590

N1-(2-Aminoethyl)-N2-[(4-methoxyphenyl)methyl]-N1-methyl-N2-2-pyridinyl-1,2-ethanediamine

C18H26N4O

HCID178512723

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(CCN(C)CCNC(=O)NCCSCc2csc(NC(=N)N)n2)c2ccccn2)cc1

HCID178491108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-903b3477844b4e49b1e97d2cb61778c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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