Bicarbonate Ion → (+)-2-bromo-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide

HRID 1217573Notes

Reaction equation

HRID 1217573 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][n:10]1.[C:62](=[O:63])([OH:64])[O-:65].[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[Na+:66].[O:44]1[CH:45]([c:50]2[cH:51][cH:52][c:53]([O:60][CH3:61])[c:54]3[n:55][c:56]([NH2:59])[s:57][c:58]23)[CH2:46][O:47][CH2:48][CH2:49]1.[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:59][c:56]2[n:55][c:54]3[c:53]([O:60][CH3:61])[cH:52][cH:51][c:50]([CH:45]4[O:44][CH2:49][CH2:48][O:47][CH2:46]4)[c:58]3[s:57]2)[cH:8][cH:9][n:10]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2227012-Bromoisonicotinic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22507697(+)-7-[1,4)Dioxan-2-yl-4-methoxy-benzothiazol-2-ylamine

Product 1

HCID 22507693(+)-2-bromo-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide

Sources & evidence

ORD record
ord-dc7b78cd60814ec1962f8144a3b7440a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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