HRID676969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22121

Benzimidazole, 2-isopropyl-

C10H12N2

结构：Cn1c(CN2CCN(C(C)(C)C)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

HCID59605470

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C(C)(C)C)CC3)n(C)c2n1

HCID59605731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6625276a88247a9b13c2025805b5838
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[n:13]([CH3:28])[c:14]3[n:15][c:16]([Cl:27])[n:17][c:18]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[c:19]3[n:20]2)[CH2:9][CH2:10]1.[CH:29]([CH3:30])([CH3:31])[c:32]1[nH:33][c:34]2[c:35]([n:36]1)[cH:37][cH:38][cH:39][cH:40]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[n:13]([CH3:28])[c:14]3[n:15][c:16](-[n:33]4[c:32]([CH:29]([CH3:30])[CH3:31])[n:36][c:35]5[c:34]4[cH:40][cH:39][cH:38][cH:37]5)[n:17][c:18]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[c:19]3[n:20]2)[CH2:9][CH2:10]1