Bicarbonate Ion → N-(18-bromo-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-yl)acetamide

HRID 205580Notes

Reaction equation

HRID 205580 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:21][c:22]1[F:23])[O:6][c:7]1[c:8]([c:16]([F:20])[cH:17][cH:18][cH:19]1)[CH:9]1[N:10]2[CH2:11][CH2:12][CH2:13][CH:14]1[NH2:15].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][C:32]([Cl:33])=[O:34].[Cl:40][CH2:41][Cl:42].[Na+:39].[O-:35][C:36]([OH:37])=[O:38]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:21][c:22]1[F:23])[O:6][c:7]1[c:8]([c:16]([F:20])[cH:17][cH:18][cH:19]1)[CH:9]1[N:10]2[CH2:11][CH2:12][CH2:13][CH:14]1[NH:15][C:32]([CH3:31])=[O:34]

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 8471TriethylamineHCID 673586397-bromo-8,14-difluoro-1,3,4,14b-tetrahydro-2H-dibenzo[b,f]pyrido[1,2-d][1,4]oxazepine-1-amine

Product 1

HCID 67358614N-(18-bromo-9,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-yl)acetamide

Sources & evidence

ORD record
ord-725333ae688d4ca391d6004ecd4ccc59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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