Ethanol → HCID 178520592, compound

HRID 1120847Notes

Reaction equation

[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[O:29][CH:30]1[CH:31]([O:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][OH:78])[O:32][CH:33]([CH2:52][O:53][CH2:54][c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[CH:34]([O:44][CH2:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[CH:35]1[O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH2:79]([Cl:80])[Cl:81].[CH3:87][CH2:88][OH:89].[Cr:1]([O:2][Cr:3]([O-:4])(=[O:5])=[O:6])([O-:7])(=[O:8])=[O:9].[S:82](=[O:83])(=[O:84])([OH:85])[OH:86].[nH+:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[nH+:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[O:29][CH:30]1[CH:31]([O:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH:77]=[O:78])[O:32][CH:33]([CH2:52][O:53][CH2:54][c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[CH:34]([O:44][CH2:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[CH:35]1[O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1

Participants

Reactant 6

HCID 702Ethanol

HCID 1118Sulfuric Acid

HCID 6344Dichloromethane

HCID 24503Dichromate ion

HCID 4989215Pyridinium2×

HCID 178520593HCID 178520593, compound

Product 1

HCID 178520592HCID 178520592, compound

Sources & evidence

ORD record: ord-8803ad177e214c40bf6958eb2d1ac5fe
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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