HRID695220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID14645392

未命名化合物

HCID18996491

3-Cyano-4-(octyloxy)benzoic acid

C16H21NO3

PRODUCTS

产物

反应SMILES：CCCCCCCCOc1ccc(C(=O)OC2CCC(CCCCCC)OC2=O)cc1C#N

HCID178443726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-14ffff989eb948a79bd1a4afaa4c5c90
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

[CH2:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[O:23][c:24]1[c:25]([C:33]#[N:34])[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]1.[O:35]=[C:36]([O:37][CH2:38][CH3:39])[N:40]=[N:41][C:42]([O:43][CH2:44][CH3:45])=[O:46].[OH:1][CH:2]1[C:3](=[O:4])[O:5][CH:6]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[CH2:7][CH2:8]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[cH:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[O:1]([CH:2]1[C:3](=[O:4])[O:5][CH:6]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[CH2:7][CH2:8]1)[C:28]([c:27]1[cH:26][c:25]([C:33]#[N:34])[c:24]([O:23][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:32][cH:31]1)=[O:29]