Bicarbonate Ion → Methyl 3-(3,4-diethyl-phenyl)-2-{[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carbonyl]-amino}-propionate

HRID 1140591Notes

Reaction equation

HRID 1140591 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH2:36]1[CH2:38][CH2:37][CH2:39][O:40]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([CH2:14][CH3:15])[c:9]([CH2:12][CH3:13])[cH:10][cH:11]1)[NH2:16])=[O:17].[NH:18]1[CH2:19][CH2:20][CH:21]([N:24]2[C:25](=[O:35])[NH:26][c:27]3[c:28]([cH:31][cH:32][cH:33][cH:34]3)[CH2:29][CH2:30]2)[CH2:22][CH2:23]1.[Na+:45]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([CH2:14][CH3:15])[c:9]([CH2:12][CH3:13])[cH:10][cH:11]1)[NH:16][C:39]([N:18]1[CH2:19][CH2:20][CH:21]([N:24]2[C:25](=[O:35])[NH:26][c:27]3[c:28]([cH:31][cH:32][cH:33][cH:34]3)[CH2:29][CH2:30]2)[CH2:22][CH2:23]1)=[O:40])=[O:17]

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 113795873-(Piperidin-4-yl)-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-oneHCID 22184541HCID 22184541, compound

Product 1

HCID 22184617Methyl 3-(3,4-diethyl-phenyl)-2-{[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carbonyl]-amino}-propionate

Sources & evidence

ORD record
ord-74e8166331d4419fb699443aafae9c26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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