1,3-Benzodioxole-5-carboxylic acid → HCID 11683074, compound

HRID 159908Notes

Reaction equation

HRID 159908 reaction equation
[C:1]([c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[O:7][CH2:6][O:5]2)(=[O:11])[OH:12].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[CH3:44][O:45][c:46]1[c:47]2[c:48]([c:49]([N:52]3[CH2:53][CH2:54][O:55][CH2:56][CH2:57]3)[n:50][cH:51]1)[s:58][c:59]([NH2:61])[n:60]2.[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[C:1]([c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[O:7][CH2:6][O:5]2)(=[O:12])[NH:61][c:59]1[s:58][c:48]2[c:47]([c:46]([O:45][CH3:44])[cH:51][n:50][c:49]2[N:52]2[CH2:53][CH2:54][O:55][CH2:56][CH2:57]2)[n:60]1

Participants

7

Reactant 6

HCID 71961,3-Benzodioxole-5-carboxylic 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 11683074HCID 11683074, compound

Sources & evidence

ORD record
ord-2a61ab7ef00f4c0a849b7d50826e0602
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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