Methanol → HCID 59451423, compound

HRID 295228Notes

Reaction equation

HRID 295228 reaction equation
[CH3:73][OH:74].[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:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[c:30]1(-[c:36]2[n:37][n:38][s:39][c:40]2[C:41](=[O:42])[OH:43])[cH:31][cH:32][cH:33][cH:34][cH:35]1.[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]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:41]([c:40]1[c:36](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[n:37][n:38][s:39]1)=[O:42]

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27371674-phenyl-1,2,3-thiadiazole-5-carboxylic acidHCID 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 59451423HCID 59451423, compound

Sources & evidence

ORD record
ord-08856598b3a04b4c8519c2b1d23905e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…