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Sodium Ion → 3-Methyl-4-oxo-5-(2-pyrrolidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde

HRID 116798
Notes
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Reaction equation

HRID 116798 reaction equation
[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[c:8]1[c:9]([CH3:26])[c:10]2[c:16]([nH:17]1)[CH2:15][CH2:14][CH2:13][N:12]([CH2:18][CH2:19][N:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)[C:11]2=[O:25])[CH3:7].[CH2:34]([O:35][CH:36]([O:37][CH2:38][CH3:39])[O:40][CH2:41][CH3:42])[CH3:43].[Cl:46][CH2:47][Cl:48].[Na+:45].[OH-:44].[OH2:49].[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33]>>[O:5]=[CH:6][c:8]1[c:9]([CH3:26])[c:10]2[c:16]([nH:17]1)[CH2:15][CH2:14][CH2:13][N:12]([CH2:18][CH2:19][N:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)[C:11]2=[O:25]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 31214Ethyl orthoformateHCID 592500843-Methyl-4-oxo-5-(2-pyrrolidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carboxylic acid tert-butyl ester

Product 1

HCID 592500963-Methyl-4-oxo-5-(2-pyrrolidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde

Sources & evidence

ORD record
ord-5f8f83e9337e4de5afce9bf9f15dfcb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes