N,N-Dimethylglycine → HCID 59506965, compound

HRID 2161268Notes

Reaction equation

HRID 2161268 reaction equation
[C:64](=[O:65])([O-:66])[OH:67].[CH3:33][N:34]([CH3:35])[CH2:36][C:37]([OH:38])=[O:39].[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][c:14]([NH:19][C:20]([c:21]4[cH:22][c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]4)=[O:32])[cH:15][cH:16][c:17]3[CH3:18])[cH:7][cH:8][c:9]2[n:10]1.[Na+:68].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[cH:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1.[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][c:14]([NH:19][C:20]([c:21]4[cH:22][c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]4)=[O:32])[cH:15][cH:16][c:17]3[CH3:18])[cH:7][cH:8][c:9]2[n:10]1)[C:37]([CH2:36][N:34]([CH3:33])[CH3:35])=[O:38]

Participants

8

Reactant 7

HCID 673N,N-DimethylglycineHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1049PyridineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 86646043HCID 86646043, compound

Product 1

HCID 59506965HCID 59506965, compound

Sources & evidence

ORD record
ord-4f34f36c1fe04f899b4c0e34e127ad0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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