Methanol → HCID 59451473, compound

HRID 1556506Notes

Reaction equation

HRID 1556506 reaction equation
[CH3:30][S:31](=[O:32])(=[O:33])[c:34]1[cH:35][cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][cH:42]1.[CH3:72][OH:73].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[NH2:1][CH2:2][c:3]1[c:4]([F:20])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[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>>[NH:1]([CH2:2][c:3]1[c:4]([F:20])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1)[C:38]([c:37]1[cH:36][cH:35][c:34]([S:31]([CH3:30])(=[O:32])=[O:33])[cH:42][cH:41]1)=[O:39]

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 77670p-(Methylsulphonyl)benzoic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594513923-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrile

Product 1

HCID 59451473HCID 59451473, compound

Sources & evidence

ORD record
ord-6334c6885d284f78855718cc8f864497
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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