Ethanol → HCID 70146030, compound

HRID 160316Notes

Reaction equation

HRID 160316 reaction equation
[Br:27][c:28]1[cH:29][c:30]([S:35](=[O:36])(=[O:37])[N:38]=[CH:39][N:40]([CH3:41])[CH3:42])[cH:31][cH:32][c:33]1[CH3:34].[C:62](=[O:63])([O-:64])[O-:65].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([S:25][CH3:26])[c:8]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14]([B:17]([OH:18])[OH:19])[cH:15][cH:16]1.[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:80][CH2:81][OH:82].[Na+:66].[Na+:67].[Na+:72].[O-:68][C:69]([OH:70])=[O:71].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([S:25][CH3:26])[c:8]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:28]2[cH:29][c:30]([S:35](=[O:36])(=[O:37])[N:38]=[CH:39][N:40]([CH3:41])[CH3:42])[cH:31][cH:32][c:33]2[CH3:34])[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1140TolueneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 18400107HCID 18400107, compoundHCID 54567475HCID 54567475, compound

Product 1

HCID 70146030HCID 70146030, compound

Sources & evidence

ORD record
ord-3814186f15b8447ab9ad89fc7a22e899
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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