HRID1117803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID867

Propanedioic acid

C3H4O4

HCID1032

未命名化合物

HCID6457

Benzenemethanol, .alpha.,.alpha.-diphenyl-

C19H16O

HCID24386

Thionyl chloride

Cl2OS

反应SMILES：O=C(O)CC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID136696

3,3,3-Triphenylpropionic acid

C21H18O2

PRODUCTS

产物

反应SMILES：O=C(Cl)CC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID15254181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6cd9657af006410d87a9895464d800c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:51][CH2:52][C:53](=[O:54])[OH:55].[CH3:60][CH2:61][OH:62].[OH:21][C:22]([CH2:23][C:24](=[O:25])[OH:26])=[O:27].[S:56]([Cl:57])([Cl:58])=[O:59].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[OH:15])[cH:16][cH:17][cH:18][cH:19][cH:20]1.[c:28]1([C:34]([CH2:35][C:36](=[O:37])[OH:38])([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:28]1([C:34]([CH2:35][C:36](=[O:37])[Cl:58])([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1