Ethanol → HCID 178497076, compound

HRID 204092Notes

Reaction equation

HRID 204092 reaction equation
[CH3:32][c:33]1[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1.[CH3:43][C:44](=[O:45])[O:46][C:47](=[O:48])[CH3:49].[CH3:50][OH:51].[CH3:56][CH2:57][OH:58].[CH:1]1([NH:7][CH:8]2[CH:9]3[C:10]4([CH3:31])[CH2:11][CH2:12][CH:13]([OH:30])[CH2:14][CH:15]4[CH2:16][CH2:17][CH:18]3[CH:19]3[CH2:20][CH2:21][CH:22]([C:26](=[O:27])[O:28][CH3:29])[C:23]3([CH3:24])[CH2:25]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:52]([Cl:53])([Cl:54])[Cl:55].[Na+:63].[O-:59][C:60]([OH:61])=[O:62].[OH2:64]>>[CH:1]1([NH:7][CH:8]2[CH:9]3[C:10]4([CH3:31])[CH2:11][CH2:12][CH:13]([O:30][C:44]([CH3:43])=[O:45])[CH2:14][CH:15]4[CH2:16][CH2:17][CH:18]3[CH:19]3[CH2:20][CH2:21][CH:22]([C:26](=[O:27])[O:28][CH3:29])[C:23]3([CH3:24])[CH2:25]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 702EthanolHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6212ChloroformHCID 7918Acetic AnhydrideHCID 178497065HCID 178497065, compound

Product 1

HCID 178497076HCID 178497076, compound

Sources & evidence

ORD record
ord-47148ab527c64b6182ce864d43fe81e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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