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Chloride → ethyl 4-oxo-5,6-dihydro-4H-thieno[2,3-c]azepine-7(8H)-carboxylate

HRID 305358
Notes
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Reaction equation

HRID 305358 reaction equation
[Al+3:33].[C:36](=[O:37])([OH:38])[O-:39].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]([CH2:7][CH2:8][C:9](=[O:10])[OH:11])[CH2:12][c:13]1[s:14][cH:15][cH:16][cH:17]1.[CH2:24]([NH2:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH2:41]([Cl:42])[Cl:43].[CH3:44][OH:45].[Cl-:32].[Cl-:34].[Cl-:35].[Cl:18][C:19]([C:20]([Cl:21])=[O:22])=[O:23].[Na+:40].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][C:9](=[O:11])[c:17]2[c:13]([s:14][cH:15][cH:16]2)[CH2:12]1
ParticipantsSources & evidenceReaction notes

Participants

11

Reactant 10

HCID 312Chloride3×HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 7504Benzylamine
HCID 65578
Oxalyl chloride
HCID 104727Aluminum Cation
HCID 670270583-(Ethoxycarbonyl(thiophen-2-ylmethyl)amino)propanoic acid

Product 1

HCID 13600418ethyl 4-oxo-5,6-dihydro-4H-thieno[2,3-c]azepine-7(8H)-carboxylate

Sources & evidence

ORD record
ord-fca4fa7e38994d3c9160ec6034930d0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes