Ammonium → 9-Chloro-5,6-dihydrobenzo[f][1,2,4]triazolo[1,5-d][1,4]oxazepine-2-carboxamide

HRID 109529Notes

Reaction equation

HRID 109529 reaction equation
[CH3:19][N:20]([CH3:21])[CH:22]=[O:23].[CH3:31][N+:32]([CH3:33])=[C:34]([N:35]([CH3:36])[CH3:37])[O:38][n:39]1[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[Cl-:59].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:17][cH:18]1)-[c:6]1[n:7]([n:11][c:12]([C:14](=[O:15])[OH:16])[n:13]1)[CH2:8][CH2:9][O:10]2.[Cl:48][c:49]1[cH:50][cH:51][c:52]2[n:53][n:54][n:55]([OH:56])[c:57]2[cH:58]1.[F:24][P-:25]([F:26])([F:27])([F:28])([F:29])[F:30].[NH4+:60]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:17][cH:18]1)-[c:6]1[n:7]([n:11][c:12]([C:14](=[O:15])[NH2:20])[n:13]1)[CH2:8][CH2:9][O:10]2

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2327116-Chloro-1-hydroxy-1H-benzotriazoleHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 582045869-Chloro-5,6-dihydrobenzo[f][1,2,4]triazolo[1,5-d][1,4]oxazepine-2-carboxylic acid

Product 1

HCID 582043089-Chloro-5,6-dihydrobenzo[f][1,2,4]triazolo[1,5-d][1,4]oxazepine-2-carboxamide

Sources & evidence

ORD record
ord-2e306c804ed6477e8ed30d20dc46e3d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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