Ethanol → HCID 44481643, compound

HRID 2349856Notes

Reaction equation

HRID 2349856 reaction equation
[C:52](=[O:53])([OH:54])[O-:55].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:35][S:6](=[O:7])(=[O:8])[c:9]1[n:10][cH:11][cH:12][c:13]([CH:15]([CH2:16][CH2:17][CH3:18])[NH:19][C:20](=[O:21])[c:22]2[cH:23][n:24][n:25](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[c:26]2[CH3:27])[cH:14]1.[CH3:36][O-:37].[CH3:40][NH2:41].[CH3:42][CH2:43][OH:44].[CH3:50][OH:51].[Na+:38].[Na+:56].[Na:39].[OH2:57]>>[S:6](=[O:7])(=[O:8])([c:9]1[n:10][cH:11][cH:12][c:13]([CH:15]([CH2:16][CH2:17][CH3:18])[NH:19][C:20](=[O:21])[c:22]2[cH:23][n:24][n:25](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[c:26]2[CH3:27])[cH:14]1)[NH:41][CH3:40]

Participants

11

Reactant 10

HCID 702EthanolHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 6329MethylamineHCID 8028TetrahydrofuranHCID 3826051MethoxideHCID 5360545SodiumHCID 44481644HCID 44481644, compound

Product 1

HCID 44481643HCID 44481643, compound

Sources & evidence

ORD record
ord-ef40204cf62b48d3ae1e8265e0a17010
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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