Methanol → HCID 59275554, compound

HRID 674526Notes

Reaction equation

HRID 674526 reaction equation
[CH2:1]1[NH:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21.[CH3:77][OH:78].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21]2[C:22]([NH:23][CH3:24])=[O:25])[cH:26][c:27](-[c:30]2[cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37][cH:38]2)[cH:28][cH:29]3)[cH:15][cH:16]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH2:1]1[N:2]([C:33]([c:32]2[cH:31][c:30](-[c:27]3[cH:26][c:20]4[c:19]([o:18][c:17](-[c:14]5[cH:13][cH:12][c:11]([F:10])[cH:16][cH:15]5)[c:21]4[C:22]([NH:23][CH3:24])=[O:25])[cH:29][cH:28]3)[cH:38][cH:37][cH:36]2)=[O:34])[CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 422478IsoindolineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592754243-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid

Product 1

HCID 59275554HCID 59275554, compound

Sources & evidence

ORD record
ord-848774e5f11c4e29b1a79a73be14db1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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