Ethanol → HCID 11568047, compound

HRID 1538181Notes

Reaction equation

HRID 1538181 reaction equation
[C:21](=[O:22])([O:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH2:28][c:29]1[n:30][cH:31][nH:32][cH:33]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:61][CH2:62][OH:63].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[Na+:16].[OH2:64].[OH:17][C:18](=[O:19])[O-:20].[S:11](=[O:12])(=[O:13])([OH:14])[OH:15].[c:41]1([C:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[Cl:60])[cH:42][cH:43][cH:44][cH:45][cH:46]1.[nH:1]1[cH:2][c:3]([CH2:4][CH2:5][C:6]([OH:7])=[O:8])[n:9][cH:10]1>>[C:21](=[O:22])([O:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH2:28][c:29]1[n:30][cH:31][n:32]([C:47]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:33]1

Participants

11

Reactant 10

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 6228DimethylformamideHCID 6456Trityl chlorideHCID 8471TriethylamineHCID 178471275HCID 178471275, compoundHCID 178525356HCID 178525356, compound

Product 1

HCID 11568047HCID 11568047, compound

Sources & evidence

ORD record
ord-d81b8839d613434c99d5920e80463896
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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