Picolinic acid → HCID 10164025, compound

HRID 174633Notes

Reaction equation

HRID 174633 reaction equation
[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:25][C:26]#[N:27].[NH2:28][c:29]1[c:30]([O:31][CH2:32][C:33]([CH2:34][N:35]2[CH2:36][CH2:37][CH:38]([n:41]3[c:42](=[O:50])[nH:43][c:44]4[c:45]3[cH:46][cH:47][cH:48][cH:49]4)[CH2:39][CH2:40]2)([CH3:51])[OH:52])[cH:53][cH:54][cH:55][cH:56]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:57]1[c:58]([C:63](=[O:64])[OH:65])[cH:59][cH:60][cH:61][cH:62]1.[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[NH:28]([c:29]1[c:30]([O:31][CH2:32][C:33]([CH2:34][N:35]2[CH2:36][CH2:37][CH:38]([n:41]3[c:42](=[O:50])[nH:43][c:44]4[c:45]3[cH:46][cH:47][cH:48][cH:49]4)[CH2:39][CH2:40]2)([CH3:51])[OH:52])[cH:53][cH:54][cH:55][cH:56]1)[C:63]([c:58]1[n:57][cH:62][cH:61][cH:60][cH:59]1)=[O:64]

Participants

7

Reactant 6

HCID 1018Picolinic acidHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 69197184HCID 69197184, compound

Product 1

HCID 10164025HCID 10164025, compound

Sources & evidence

ORD record
ord-f7d06b2e2c2f4c16b25fd5d2ea291e8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…