Ethanol → HCID 22452740, compound

HRID 1128365Notes

Reaction equation

HRID 1128365 reaction equation
[CH3:48][CH2:49][OH:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][c:10]3[c:11]([c:14]4[c:15]([n:16][c:17]([CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42])[c:18]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:19]4-[c:20]4[cH:21][c:22]([O:30][CH3:31])[c:23]([O:26][CH:27]([CH3:28])[CH3:29])[cH:24][cH:25]4)[s:43]3)[CH2:12][CH2:13]2)[cH:44][cH:45]1.[K+:47].[OH-:46].[OH2:51]>>[NH:8]1[CH2:9][c:10]2[c:11]([c:14]3[c:15]([n:16][c:17]([CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42])[c:18]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:19]3-[c:20]3[cH:21][c:22]([O:30][CH3:31])[c:23]([O:26][CH:27]([CH3:28])[CH3:29])[cH:24][cH:25]3)[s:43]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 22452760HCID 22452760, compound

Product 1

HCID 22452740HCID 22452740, compound

Sources & evidence

ORD record
ord-52bec0fb737246709803828de39725d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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