Ethanol → HCID 14013088, compound

HRID 1545338Notes

Reaction equation

HRID 1545338 reaction equation
[C:36](=[O:37])([O-:38])[OH:39].[CH3:41][CH2:42][OH:43].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][n:7]1.[F:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][n:16]2[c:17]([CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([CH2:32][CH2:33][NH:34][CH3:35])[CH2:30][CH2:31]3)[n:18][c:19]3[c:20]2[cH:21][cH:22][cH:23][cH:24]3)[cH:13][cH:14]1.[Na+:40]>>[c:2]1([N:34]([CH2:33][CH2:32][N:29]2[CH2:28][CH2:27][CH:26]([CH2:25][c:17]3[n:16]([CH2:15][c:12]4[cH:11][cH:10][c:9]([F:8])[cH:14][cH:13]4)[c:20]4[c:19]([n:18]3)[cH:24][cH:23][cH:22][cH:21]4)[CH2:31][CH2:30]2)[CH3:35])[n:3][cH:4][cH:5][cH:6][n:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 744042-ChloropyrimidineHCID 14013298HCID 14013298, compound

Product 1

HCID 14013088HCID 14013088, compound

Sources & evidence

ORD record
ord-389f78e84ff84139b731afad1d5f6a0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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