HRID675507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22121

Benzimidazole, 2-isopropyl-

C10H12N2

结构：Cn1c(C2(O)CCCN(C(=O)OC(C)(C)C)C2)nc2c(N3CCOCC3)nc(Cl)nc21

HCID59605825

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(O)CCCN(C(=O)OC(C)(C)C)C3)n(C)c2n1

HCID59605652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8916d66375cb443298d6c4c54a306a69
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

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