HRID699926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7364

Thiophene-2-carbaldehyde

C5H4OS

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8058

n-Hexane

C6H14

HCID8900

Heptane

C7H16

HCID13658

Propanoic acid, 2-phenoxy-

C9H10O3

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

PRODUCTS

生成物

HCID22340080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3936fb36ac74aee958d5b1964598c46
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

[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH3:28].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH2:9]1[O:10][CH2:11][CH2:12][CH2:13]1.[CH3:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[CH3:2][CH:3]([N-:4][CH:5]([CH3:6])[CH3:7])[CH3:8].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[Li+:1].[O:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH:36]([C:37](=[O:38])[OH:39])[CH3:40].[OH2:59].[s:41]1[c:42]([CH:46]=[O:47])[cH:43][cH:44][cH:45]1>>[O:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[C:36]([C:37](=[O:38])[OH:39])([CH3:40])[CH:46]([c:42]1[s:41][cH:45][cH:44][cH:43]1)[OH:47]