HRID171983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1071

(13cis)-Retinol

C20H30O

结构：CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O

HCID5538

未命名化合物

HCID6503

Tromethamine

C4H11NO3

HCID19001

2,3-Butanediol, 1,4-dimercapto-

C4H10O2S2

PRODUCTS

生成物

HCID1071

(13cis)-Retinol

C20H30O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6985bf9fec6b456bb7f72692f7458bb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][C:2]([CH:3]=[CH:4][C:5]1=[C:6]([CH3:7])[CH2:8][CH2:9][CH2:10][C:11]1([CH3:12])[CH3:13])=[CH:14][CH:15]=[CH:16][C:17]([CH3:18])=[CH:19][C:20]([OH:21])=[O:22].[CH3:31][C:32](=[CH:33][CH2:34][OH:35])[CH:36]=[CH:37][CH:38]=[C:39]([CH:40]=[CH:41][C:42]1=[C:49]([CH3:50])[CH2:48][CH2:47][CH2:46][C:43]1([CH3:44])[CH3:45])[CH3:51].[NH2:23][C:24]([CH2:25][OH:26])([CH2:27][OH:28])[CH2:29][OH:30].[SH:52][CH2:53][CH:54]([OH:55])[CH:56]([OH:57])[CH2:58][SH:59]>>[CH3:1][C:2]([CH:3]=[CH:4][C:5]1=[C:6]([CH3:7])[CH2:8][CH2:9][CH2:10][C:11]1([CH3:12])[CH3:13])=[CH:14][CH:15]=[CH:16][C:17]([CH3:18])=[CH:19][CH2:20][OH:21]