Bicarbonate Ion → Benzyl Benazepril

HRID 671005Notes

Reaction equation

HRID 671005 reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH2:11][N:12]1[C:13](=[O:36])[CH:14]([NH:23][CH:24]([CH2:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[C:33](=[O:34])[OH:35])[CH2:15][CH2:16][c:17]2[c:18]1[cH:19][cH:20][cH:21][cH:22]2.[CH2:42]([CH3:43])[I:44].[CH3:45][C:46]([N:47]([CH3:48])[CH3:49])=[O:50].[Na+:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH2:11][N:12]1[C:13](=[O:36])[CH:14]([NH:23][CH:24]([CH2:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[C:33](=[O:34])[O:35][CH2:42][CH3:43])[CH2:15][CH2:16][c:17]2[c:18]1[cH:19][cH:20][cH:21][cH:22]2

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6340IodoethaneHCID 31374DimethylacetamideHCID 202447451-benzyloxycarbonylmethyl-3-(1-carboxy-3-phenylpropylamino)-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one

Product 1

HCID 20244751Benzyl Benazepril

Sources & evidence

ORD record
ord-d4006694649344d18890c5d26c23b7a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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