Acetic Acid → HCID 178437023, compound

HRID 316696Notes

Reaction equation

HRID 316696 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4](=[O:37])[nH:5][c:6](=[O:36])[n:7]([CH:8]2[CH2:9][CH:10]([OH:11])[CH:12]([CH2:13][O:14][C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[O:34]2)[cH:35]1.[CH3:61][C:62](=[O:63])[OH:64].[Cl:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[K+:39].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH-:38].[OH2:48].[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([CH3:2])[c:3]1[c:4](=[O:37])[nH:5][c:6](=[O:36])[n:7]([CH:8]2[CH2:9][CH:10]([O:11][CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH:12]([CH2:13][O:14][C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[O:34]2)[cH:35]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 241BenzeneHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 7503Benzyl ChlorideHCID 312751,4-DioxaneHCID 178437046HCID 178437046, compound

Product 1

HCID 178437023HCID 178437023, compound

Sources & evidence

ORD record
ord-4865032e1bbc4bddae645b814356566e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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