Ethanol → HCID 178488502, compound

HRID 182209Notes

Reaction equation

HRID 182209 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:30][O:31][c:32]1[cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38][c:39]1-[n:40]1[cH:41][n:42][c:43]([CH3:45])[cH:44]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:57][CH2:58][OH:59].[Cl:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[N:12]3[CH:13]([CH2:14][O:15][CH2:16]2)[CH2:17][CH2:18][CH:19]([P:22](=[O:23])([O:24][CH2:25][CH3:26])[O:27][CH2:28][CH3:29])[C:20]3=[O:21])[cH:9][cH:10]1.[Li+:3].[OH-:2].[OH2:1].[OH2:60]>>[Cl:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[N:12]3[CH:13]([CH2:14][O:15][CH2:16]2)[CH2:17][CH2:18][C:19](=[CH:35][c:34]2[cH:33][c:32]([O:31][CH3:30])[c:39](-[n:40]4[cH:41][n:42][c:43]([CH3:45])[cH:44]4)[cH:38][cH:37]2)[C:20]3=[O:21])[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 702EthanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 272824453-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehydeHCID 178476951HCID 178476951, compound

Product 1

HCID 178488502HCID 178488502, compound

Sources & evidence

ORD record
ord-63c4730500f84847a4267bbba9c5b455
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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