HRID284212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

结构：CC(C)(C)NC(=O)c1ccc(C(O)CCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

HCID14097209

N-(1,1-Dimethylethyl)-4-[1-hydroxy-3-[1-(triphenylmethyl)-1H-imidazol-4-yl]propyl]benzamide

C36H37N3O2

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1ccc(C(Cl)CCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

HCID14097210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c31ad097e6ac43598c1fa8764450e491
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH2:16][c:17]2[n:18][cH:19][n:20]([C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:21]2)[OH:41])[cH:12][cH:13]1.[C:46](=[O:47])([OH:48])[O-:49].[CH2:51]([Cl:52])[Cl:53].[Na+:50].[S:42]([Cl:43])([Cl:44])=[O:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH2:16][c:17]2[n:18][cH:19][n:20]([C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:21]2)[Cl:44])[cH:12][cH:13]1