Ethanol → HCID 68307137, compound

HRID 308902Notes

Reaction equation

HRID 308902 reaction equation
[C:34](=[O:35])([OH:36])[O-:37].[CH2:29]1[CH2:30][CH2:31][NH:32][CH2:33]1.[CH3:39][CH2:40][OH:41].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[NH2:1][CH:2]1[CH2:3][N:4]([c:8]2[n:9]([CH2:20][c:21]3[c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27][cH:28]3)[c:10](=[O:19])[c:11]3[c:12]([n:13]2)[cH:14][n:15][c:16]([Cl:18])[cH:17]3)[CH2:5][CH2:6][CH2:7]1.[Na+:38]>>[NH2:1][CH:2]1[CH2:3][N:4]([c:8]2[n:9]([CH2:20][c:21]3[c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27][cH:28]3)[c:10](=[O:19])[c:11]3[c:12]([n:13]2)[cH:14][n:15][c:16]([N:32]2[CH2:31][CH2:30][CH2:29][CH2:33]2)[cH:17]3)[CH2:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 31268PyrrolidineHCID 88930109HCID 88930109, compound

Product 1

HCID 68307137HCID 68307137, compound

Sources & evidence

ORD record
ord-f6f9343a386244418d3e026c270f5f0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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