Ethanol → HCID 69881514, compound

HRID 194549Notes

Reaction equation

HRID 194549 reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH2:58]([O:59][CH2:60][CH3:61])[CH3:62].[CH2:63]([OH:64])[CH3:65].[CH2:66]([Cl:67])[Cl:68].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([S:11](=[O:12])(=[O:13])[N:14]3[CH2:15][CH:16]([CH2:34][CH3:35])[N:17]([C:20](=[O:21])[c:22]4[n:23][cH:24][c:25](-[c:28]5[n:29][cH:30][cH:31][cH:32][cH:33]5)[cH:26][n:27]4)[CH2:18][CH2:19]3)[nH:7][c:8]2[cH:9][cH:10]1.[Cl:36][c:37]1[cH:38][cH:39][cH:40][c:41]([C:42]([O:43][OH:45])=[O:44])[cH:46]1.[Na+:51].[Na+:52].[Na+:57].[S:47]([O-:48])([O-:49])=[O:50]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([S:11](=[O:12])(=[O:13])[N:14]3[CH2:15][CH:16]([CH2:34][CH3:35])[N:17]([C:20](=[O:21])[c:22]4[n:23][cH:24][c:25](-[c:28]5[n+:29]([O-:44])[cH:30][cH:31][cH:32][cH:33]5)[cH:26][n:27]4)[CH2:18][CH2:19]3)[nH:7][c:8]2[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1099SulfiteHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 22710230HCID 22710230, compound

Product 1

HCID 69881514HCID 69881514, compound

Sources & evidence

ORD record
ord-da1624254fa74a9ca558934e0b74de33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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