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Acetic Acid → 2-[4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-7-oxo-1,4-diazepan-1-yl]acetaldehyde

HRID 103615
Notes
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Reaction equation

HRID 103615 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:28][C:29](=[O:30])[CH3:31].[CH3:32][C:33](=[O:34])[OH:35].[Cl:1][c:2]1[cH:3][c:4]([CH:9]=[CH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH2:21][C:22](=[O:23])[N:24]([O:25][CH3:26])[CH3:27])[C:17](=[O:20])[CH2:18][CH2:19]2)[cH:5][cH:6][c:7]1[Cl:8].[K+:41].[S:36](=[O:37])(=[O:38])([OH:39])[O-:40]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]=[CH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH2:21][CH:22]=[O:23])[C:17](=[O:20])[CH2:18][CH2:19]2)[cH:5][cH:6][c:7]1[Cl:8]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 180AcetoneHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 61778Sulfate, hydrogenHCID 908402222-[4-[3-(3,4-dichlorophenyl)prop-2-enoyl]-7-oxo-1,4-diazepan-1-yl]-N-methoxy-N-methylacetamide

Product 1

HCID 91248597
2-[4-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-7-oxo-1,4-diazepan-1-yl]acetaldehyde

Sources & evidence

ORD record
ord-55fce1dc66654a8892c2a1583e4e4c14
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