Water → Acrylic Acid

HRID 105581

Reaction equation

HRID 105581 reaction equation
[CH2:1]([c:2]1[c:3]([OH:13])[c:4]([C:9]([CH3:10])([CH3:11])[CH3:12])[cH:5][c:6]([CH3:8])[cH:7]1)[c:14]1[c:15]([OH:25])[c:16]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:17][c:18]([CH3:20])[cH:19]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[OH2:43].[OH:26][C:27](=[O:28])[CH:29]=[CH2:30].[P:38]([Br:39])([Br:40])([Br:41])=[O:42]>>[CH2:1]([c:2]1[c:3]([OH:13])[c:4]([C:9]([CH3:10])([CH3:11])[CH3:12])[cH:5][c:6]([CH3:8])[cH:7]1)[c:14]1[c:15]([OH:25])[c:16]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:17][c:18]([CH3:20])[cH:19]1.[O:26]=[C:27]([OH:28])[CH:29]=[CH2:30]

Participants

8

Reactant 6

HCID 962WaterHCID 6581Acrylic AcidHCID 83982,2'-Methylenebis(4-methyl-6-tert-butylphenol)HCID 8471TriethylamineHCID 8900HeptaneHCID 24613Phosphorus oxybromide

Product 2

HCID 6581Acrylic AcidHCID 83982,2'-Methylenebis(4-methyl-6-tert-butylphenol)

Sources & evidence

ORD record
ord-d3affa6c673543d8979380ea130964bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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