Ammonium → 9-Chloro-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulene-2-carboxylic acid amide
Reaction equation
[C:54](=[O:55])([OH:56])[O-:57].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:19]([N:22]([CH2:20][CH3:21])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Cl-:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:18]1)-[c:7]1[s:8][c:9]([C:15](=[O:16])[OH:17])[cH:10][c:11]1[CH2:12][CH2:13][O:14]2.[NH4+:29].[Na+:58].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:18]1)-[c:7]1[s:8][c:9]([C:15](=[O:16])[NH2:22])[cH:10][c:11]1[CH2:12][CH2:13][O:14]2Participants
10
Reactant 9
HCID 223Ammonium
HCID 312Chloride
HCID 769Bicarbonate Ion
HCID 923Sodium ion
HCID 6228Dimethylformamide
HCID 9886Hexafluorophosphate
HCID 81531Diisopropylethylamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 582037752-Chloro-6,7-dihydrothieno[2',3':4,5]oxepino[3,2-b]pyridine-9-carboxylic acidProduct 1
Sources & evidence
- ORD record
- ord-7b30f64ff4574ea9bf69a7be7228c375
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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