Methanol → HCID 67211072, compound

HRID 681261Notes

Reaction equation

HRID 681261 reaction equation
[CH3:76][OH:77].[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[Cl:30][c:31]1[cH:32][cH:33][c:34]([CH:37]2[CH:38]([NH2:42])[CH2:39][CH2:40][CH2:41]2)[cH:35][cH:36]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[NH:42][CH:38]4[CH:37]([c:34]5[cH:33][cH:32][c:31]([Cl:30])[cH:36][cH:35]5)[CH2:41][CH2:40][CH2:39]4)[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 21319648HCID 21319648, compoundHCID 592754243-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid

Product 1

HCID 67211072HCID 67211072, compound

Sources & evidence

ORD record
ord-eda1d7dc018442358176c280d5ffe447
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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