HRID117371

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7914

Isopropyl ether

C6H14O

结构：CC(C)c1nc(COCc2ccccc2)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

HCID9848752

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(CO)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

HCID9844329

{5-[(3,5-Dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}methanol

C19H19Cl2N3OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25313eeb2ac9480698a9eb775e5e8b24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][c:10]1[n:11]([CH2:27][c:28]2[cH:29][cH:30][n:31][cH:32][cH:33]2)[c:12]([S:18][c:19]2[cH:20][c:21]([Cl:26])[cH:22][c:23]([Cl:25])[cH:24]2)[c:13]([CH:15]([CH3:16])[CH3:17])[n:14]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:36]([O:37][CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:34].[OH2:35]>>[OH:8][CH2:9][c:10]1[n:11]([CH2:27][c:28]2[cH:29][cH:30][n:31][cH:32][cH:33]2)[c:12]([S:18][c:19]2[cH:20][c:21]([Cl:26])[cH:22][c:23]([Cl:25])[cH:24]2)[c:13]([CH:15]([CH3:16])[CH3:17])[n:14]1