Ethanol → HCID 67099573, compound

HRID 1211326Notes

Reaction equation

HRID 1211326 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][c:8]1[C:9]#[C:10][C:11]([O:12][CH2:13][CH3:14])([O:15][CH2:16][CH3:17])[O:18][CH2:19][CH3:20].[CH3:70][CH2:71][OH:72].[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[Cl:21][c:22]1[cH:23][c:24]([C:46]#[C:47][C:48]([O:49][CH2:50][CH3:51])([O:52][CH2:56][CH3:57])[O:53][CH2:54][CH3:55])[c:25]([C:28]2([C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]2)[cH:26][cH:27]1.[OH2:58].[OH2:73].[c:59]1([CH3:60])[cH:61][cH:62][c:63]([S:64]([OH:65])(=[O:66])=[O:67])[cH:68][cH:69]1>>[Cl:21][c:22]1[cH:23][c:24]([C:46]#[C:47][C:48]([O:49][CH2:50][CH3:51])=[O:52])[c:25]([C:28]2([C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]2)[cH:26][cH:27]1

Participants

7

Reactant 6

HCID 702EthanolHCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 670999201-Bromo-4-chloro-2-(3,3,3-triethoxyprop-1-ynyl)benzeneHCID 671002251-Tert-butyl ethyl 4-(4-chloro-2-(3,3,3-triethoxyprop-1-ynyl)phenyl)piperidine-1,4-dicarboxylate

Product 1

HCID 67099573HCID 67099573, compound

Sources & evidence

ORD record
ord-c74f7224ce784555b41f1576c35bfdbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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