HRID2122916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID13831

Tributylphosphine

C12H27P

HCID10583950

未命名化合物

HCID57554563

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(C(CCCC)Oc3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

HCID57554525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1df790fac598438ab62b58f061003ab4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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