HRID686234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11984

1H-Benzimidazole, 2-methyl-

C8H8N2

结构：CC(C)(C(N)=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

HCID57494012

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(C)(C)C(N)=O)CC3)cc2n1

HCID57506743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcc593cb8f0c449192774b707dd169d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:30][c:31]1[nH:32][c:33]2[c:34]([n:35]1)[cH:36][cH:37][cH:38][cH:39]2.[Cl:1][c:2]1[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([C:18]([C:19](=[O:20])[NH2:21])([CH3:22])[CH3:23])[CH2:16][CH2:17]1)[s:10]2>>[c:2]1(-[n:32]2[c:31]([CH3:30])[n:35][c:34]3[c:33]2[cH:39][cH:38][cH:37][cH:36]3)[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([C:18]([C:19](=[O:20])[NH2:21])([CH3:22])[CH3:23])[CH2:16][CH2:17]1)[s:10]2