HRID1214205

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)CO)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

HCID86648251

未命名化合物

PRODUCTS

生成物

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

HCID59605300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55759c4a49fd47be8d0fce00e7089636
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

[CH:30]([CH3:31])([CH3:32])[c:33]1[nH:34][c:35]2[c:36]([n:37]1)[cH:38][cH:39][cH:40][cH:41]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[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([C:19]([CH2:20][OH:21])([CH3:22])[CH3:23])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1>>[c:2]1(-[n:34]2[c:33]([CH:30]([CH3:31])[CH3:32])[n:37][c:36]3[c:35]2[cH:41][cH:40][cH:39][cH:38]3)[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([C:19]([CH2:20][OH:21])([CH3:22])[CH3:23])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1