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Hydrochloric Acid → 8-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxamide

HRID 96417
Notes
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Reaction equation

HRID 96417 reaction equation
[CH2:1]1[O:2][c:3]2[cH:4][c:5]3[c:6]([cH:17][c:18]2[O:19]1)[CH2:7][CH:8]([C:14](=[O:15])[OH:16])[S:9][CH:10]([CH3:13])[C:11]3=[O:12].[CH2:35]([N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[CH3:45].[ClH:34].[NH2:20][c:21]1[cH:22][cH:23][c:24]([CH2:25][N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[cH:32][cH:33]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]3[c:6]([cH:17][c:18]2[O:19]1)[CH2:7][CH:8]([C:14](=[O:16])[NH:20][c:21]1[cH:22][cH:23][c:24]([CH2:25][N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[cH:32][cH:33]1)[S:9][CH:10]([CH3:13])[C:11]3=[O:12]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 7768514-(Morpholinomethyl)anilineHCID 159224451,2,4,5-Tetrahydro-4-methyl-7,8-methylenedioxy-5-oxo-3-benzothiepin-2-carboxylic acid

Product 1

HCID 99117998-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxamide

Sources & evidence

ORD record
ord-f39664efb471477ba1d847220049edb0
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