Bicarbonate Ion → N-[[4-(hydroxymethyl)pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide

HRID 1569748Notes

Reaction equation

HRID 1569748 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([CH2:34][OH:35])[CH:11]([CH2:13][N:14]([C:15]([c:16]2[cH:17][c:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)=[O:30])[CH:31]([CH3:32])[CH3:33])[CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[Cl:48][CH2:49][Cl:50].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42].[Na+:47].[O-:43][C:44]([OH:45])=[O:46]>>[NH:8]1[CH2:9][CH:10]([CH2:34][OH:35])[CH:11]([CH2:13][N:14]([C:15]([c:16]2[cH:17][c:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)=[O:30])[CH:31]([CH3:32])[CH3:33])[CH2:12]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68616939Tert-butyl 3-(hydroxymethyl)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate

Product 1

HCID 68628382N-[[4-(hydroxymethyl)pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide

Sources & evidence

ORD record
ord-89517d70d3244103b736f8aefb8410a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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