Ethanol → HCID 22179504, compound

HRID 96854Notes

Reaction equation

HRID 96854 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:41])[c:8]2[n:9]([n:10][cH:11][c:12]([C:38]#[N:39])[c:13]2[NH:14][c:15]2[cH:16][cH:17][c:18]([O:21][c:22]3[c:23]([O:28][C:29]([CH3:30])([CH3:31])[C:32]([NH:33][CH2:34][CH2:35][OH:36])=[O:37])[cH:24][cH:25][cH:26][cH:27]3)[cH:19][cH:20]2)[cH:40]1.[CH3:45][CH2:46][OH:47].[Na+:43].[OH-:42].[OH2:44]>>[O:3]=[C:4]([OH:5])[c:6]1[c:7]([CH3:41])[c:8]2[n:9]([n:10][cH:11][c:12]([C:38]#[N:39])[c:13]2[NH:14][c:15]2[cH:16][cH:17][c:18]([O:21][c:22]3[c:23]([O:28][C:29]([CH3:30])([CH3:31])[C:32]([NH:33][CH2:34][CH2:35][OH:36])=[O:37])[cH:24][cH:25][cH:26][cH:27]3)[cH:19][cH:20]2)[cH:40]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 21025115HCID 21025115, compound

Product 1

HCID 22179504HCID 22179504, compound

Sources & evidence

ORD record
ord-ca22eb6fcbd8431bb507b53a9aa8e868
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…