Acetic Acid → HCID 19822242, compound

HRID 151175Notes

Reaction equation

HRID 151175 reaction equation
[CH3:1][O:2][CH2:3][O:4][c:5]1[c:6]([CH3:36])[c:7]2[c:12]([c:13]([CH3:16])[c:14]1[CH3:15])[O:11][C:10]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])([CH2:25][O:26][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1)[CH2:9][CH2:8]2.[CH3:37][C:38](=[O:39])[OH:40].[OH2:52].[S:47](=[O:48])(=[O:49])([OH:50])[OH:51].[cH:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[OH:4][c:5]1[c:6]([CH3:36])[c:7]2[c:12]([c:13]([CH3:16])[c:14]1[CH3:15])[O:11][C:10]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])([CH2:25][O:26][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1)[CH2:9][CH2:8]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 241BenzeneHCID 962WaterHCID 1118Sulfuric AcidHCID 19822208HCID 19822208, compound

Product 1

HCID 19822242HCID 19822242, compound

Sources & evidence

ORD record
ord-5c40e6d3b1b246fd84e36ca2501ac9af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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