Ethanol → HCID 178473446, compound

HRID 2158708Notes

Reaction equation

HRID 2158708 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][cH:7][c:8]([C:17](=[O:18])[N:19]([CH:20]2[CH2:21][N:22]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:23][CH:24]([NH:26][C:27](=[O:28])[O:29][CH2:30][C:31]([Cl:32])([Cl:33])[Cl:34])[CH2:25]2)[CH2:42][CH:43]([CH3:44])[CH3:45])[c:9]([NH:11][CH2:12][CH2:13][CH2:14][S:15][CH3:16])[n:10]1.[CH3:48][CH2:49][OH:50].[Na+:47].[OH-:46].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][cH:7][c:8]([C:17](=[O:18])[N:19]([CH:20]2[CH2:21][N:22]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:23][CH:24]([NH:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:25]2)[CH2:42][CH:43]([CH3:44])[CH3:45])[c:9]([NH:11][CH2:12][CH2:13][CH2:14][S:15][CH3:16])[n:10]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178503719HCID 178503719, compound

Product 1

HCID 178473446HCID 178473446, compound

Sources & evidence

ORD record
ord-686060c9c08d4e5faef1a6933a78a902
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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