Ammonium → 9-Bromo-4,5-dihydro-[1]benzoxepino[5,4-d]thiazole-2-carboxamide

HRID 2122262Notes

Reaction equation

HRID 2122262 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)-[c:7]1[n:8][c:9]([C:15](=[O:16])[OH:17])[s:10][c:11]1[CH2:12][CH2:13][O:14]2.[C:59](=[O:60])([OH:61])[O-:62].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:21]([N:24]([CH2:22][CH3:23])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Cl-:19].[NH4+:20].[Na+:63].[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>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)-[c:7]1[n:8][c:9]([C:15](=[O:16])[NH2:24])[s:10][c:11]1[CH2:12][CH2:13][O:14]2

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 582039379-Bromo-4,5-dihydrobenzo[2,3]oxepino[4,5-D]thiazole-2-carboxylic acid

Product 1

HCID 582039029-Bromo-4,5-dihydro-[1]benzoxepino[5,4-d]thiazole-2-carboxamide

Sources & evidence

ORD record
ord-9901afe7f4074f43bc752466e3ae731a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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