Ethanol → HCID 58298342, compound

HRID 1561509Notes

Reaction equation

HRID 1561509 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:22])[c:5](-[c:9]2[cH:10][c:11]([C:20]#[N:21])[n:12]3[c:13]2[n:14][c:15]([CH3:19])[cH:16][c:17]3[Cl:18])[c:6]([CH3:8])[cH:7]1.[CH2:23]([CH2:24][CH3:25])[CH:26]([CH2:27][CH2:28][CH3:29])[NH2:30].[CH3:45][CH2:46][OH:47].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Na+:40].[OH:41][C:42](=[O:43])[O-:44]>>[Br:1][c:2]1[cH:3][c:4]([CH3:22])[c:5](-[c:9]2[cH:10][c:11]([C:20]#[N:21])[n:12]3[c:13]2[n:14][c:15]([CH3:19])[cH:16][c:17]3[NH:30][CH:26]([CH2:23][CH2:24][CH3:25])[CH2:27][CH2:28][CH3:29])[c:6]([CH3:8])[cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 386654-HeptanamineHCID 81531DiisopropylethylamineHCID 58298337HCID 58298337, compound

Product 1

HCID 58298342HCID 58298342, compound

Sources & evidence

ORD record
ord-a61a683d57f140039383badabc6adad5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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