Acetic Acid → HCID 66899732, compound

HRID 1572026Notes

Reaction equation

HRID 1572026 reaction equation
[CH3:58][C:59](=[O:60])[OH:61].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[n:12][n:13]([CH2:16][C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][cH:15]2)[N:21]2[C:22](=[O:28])[CH:23]=[C:24]([O:26][CH3:27])[CH2:25]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:56].[ClH:29].[Cs+:57].[OH2:38].[OH2:50].[OH2:51].[OH2:52].[OH2:53].[OH2:54].[OH2:55].[OH:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[n:12][n:13]([CH2:16][C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][cH:15]2)[N:21]2[C:22](=[O:28])[CH:23]=[C:24]([O:26][CH2:27][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:25]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 244Benzyl AlcoholHCID 312ChlorideHCID 313Hydrochloric AcidHCID 962Water7×HCID 6101p-Toluenesulfonic acidHCID 104967Cesium cationHCID 66899805HCID 66899805, compound

Product 1

HCID 66899732HCID 66899732, compound

Sources & evidence

ORD record
ord-07f22bbb6ca74f42a70fc4f250dad1ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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