HRID89420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID14520334

1-[1-(Triphenylmethyl)-1H-imidazol-4-yl]-1-pentanone

C27H26N2O

HCID14520336

8-Bromo-6-chloro-2,2-dimethyl-4H-1,3-benzodioxin

C10H10BrClO2

PRODUCTS

生成物

结构：CCCCC(O)(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cc(Cl)cc2c1OC(C)(C)OC2

HCID14520348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb2b8ab9c226431497fd8ecf070c9e76
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

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