Veratric Acid → HCID 86597249, compound

HRID 682628Notes

Reaction equation

HRID 682628 reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:11]([OH:12])=[O:13])[cH:7][c:8]1[O:9][CH3:10].[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:45][O:46][c:47]1[c:48]2[c:49]([c:50]([N:53]3[CH2:54][CH2:55][O:56][CH2:57][CH2:58]3)[n:51][cH:52]1)[s:59][c:60]([NH2:62])[n:61]2.[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:11](=[O:13])[NH:62][c:60]2[s:59][c:49]3[c:48]([c:47]([O:46][CH3:45])[cH:52][n:51][c:50]3[N:53]3[CH2:54][CH2:55][O:56][CH2:57][CH2:58]3)[n:61]2)[cH:7][c:8]1[O:9][CH3:10]

Participants

7

Reactant 6

HCID 7121Veratric AcidHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 860385537-Methoxy-4-morpholin-4-yl-thiazolo[5,4-c]pyridin-2-ylamine

Product 1

HCID 86597249HCID 86597249, compound

Sources & evidence

ORD record
ord-f6119209214041d8b60f923a456ff2d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…