Water → 2-Amino-N-(5-bromo-benzofuran-2-ylmethyl)-6-methoxymethyl-nicotinamide

HRID 290468Notes

Reaction equation

HRID 290468 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][NH2:11])[o:9]2)[cH:12]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[NH2:13][c:14]1[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][c:21]([CH2:23][O:24][CH3:25])[n:22]1.[OH2:60].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][P+:42]([N:43]([CH3:44])[CH3:45])([N:46]([CH3:47])[CH3:48])[N:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][NH:11][C:16]([c:15]3[c:14]([NH2:13])[n:22][c:21]([CH2:23][O:24][CH3:25])[cH:20][cH:19]3)=[O:17])[o:9]2)[cH:12]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 2795538(5-Bromobenzo[b]furan-2-yl)methylamineHCID 231304372-Amino-6-methoxymethylnicotinic acid

Product 1

HCID 576082252-Amino-N-(5-bromo-benzofuran-2-ylmethyl)-6-methoxymethyl-nicotinamide

Sources & evidence

ORD record
ord-097de6e30af74c3e9137fe36a7cbfe78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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