HRID85838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID947

Nitrogen

HCID6212

Chloroform

CHCl3

结构：CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

HCID31207

Propane-1,2,3-triyl trioctadec-9-enoate

C57H104O6

结构：CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1

HCID78971

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

HCID304

Cholest-5-en-3-ol

C27H46O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8f707fc90184820a23cd2054d87f07f
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

[CH3:113][OH:114].[CH:115]([Cl:116])([Cl:117])[Cl:118].[CH:64]1([CH:103]([CH3:104])[CH2:105][CH2:106][CH2:107][CH:108]([CH3:109])[CH3:110])[CH2:65][CH2:66][CH:67]2[CH:68]3[CH2:69][CH:70]=[C:71]4[CH2:72][CH:73]([O:83][C:84]([CH2:85][CH2:86][CH2:87][CH2:88][CH2:89][CH2:90][CH2:91][CH:92]=[CH:93][CH2:94][CH2:95][CH2:96][CH2:97][CH2:98][CH2:99][CH2:100][CH3:101])=[O:102])[CH2:74][CH2:75][C:76]4([CH3:77])[CH:78]3[CH2:79][CH2:80][C:81]12[CH3:82].[N:111]#[N:112].[O:1]=[C:2]([O:3][CH2:4][CH:5]([O:6][C:7](=[O:8])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][O:27][C:28](=[O:29])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH:37]=[CH:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH:54]=[CH:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63]>>[CH:64]1([CH:103]([CH3:104])[CH2:105][CH2:106][CH2:107][CH:108]([CH3:109])[CH3:110])[CH2:65][CH2:66][CH:67]2[CH:68]3[CH2:69][CH:70]=[C:71]4[CH2:72][CH:73]([OH:83])[CH2:74][CH2:75][C:76]4([CH3:77])[CH:78]3[CH2:79][CH2:80][C:81]12[CH3:82]