N,N-Dimethylglycine → HCID 66936913, compound

HRID 1219683Notes

Reaction equation

HRID 1219683 reaction equation
[CH3:1][N:2]([CH2:3][C:4](=[O:5])[OH:6])[CH3:7].[CH3:71][S:72]([CH3:73])=[O:74].[CH3:75][N:76]1[CH2:77][CH2:78][CH2:79][C:80]1=[O:81].[CH:8]([N:9]([CH2:10][CH3:11])[CH:12]([CH3:13])[CH3:14])([CH3:15])[CH3:16].[NH2:41][CH:42]1[CH2:43][CH2:44][CH:45]([NH:48][c:49]2[n:50][cH:51][c:52]([Cl:70])[c:53](-[c:55]3[n:56][c:57]([NH:61][CH2:62][c:63]4[cH:64][c:65]([F:69])[cH:66][cH:67][cH:68]4)[cH:58][cH:59][cH:60]3)[cH:54]2)[CH2:46][CH2:47]1.[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[CH3:1][N:2]([CH2:3][C:4](=[O:5])[NH:41][CH:42]1[CH2:43][CH2:44][CH:45]([NH:48][c:49]2[n:50][cH:51][c:52]([Cl:70])[c:53](-[c:55]3[n:56][c:57]([NH:61][CH2:62][c:63]4[cH:64][c:65]([F:69])[cH:66][cH:67][cH:68]4)[cH:58][cH:59][cH:60]3)[cH:54]2)[CH2:46][CH2:47]1)[CH3:7]

Participants

8

Reactant 7

HCID 673N,N-DimethylglycineHCID 679Dimethyl SulfoxideHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 49855228N~2'~-(4-Aminocyclohexyl)-5'-chloro-N~6~-[(3-fluorophenyl)methyl][2,4'-bipyridine]-2',6-diamine

Product 1

HCID 66936913HCID 66936913, compound

Sources & evidence

ORD record
ord-a40a6ce19f3d46109f9f232f3dc3c957
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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