Dichloromethane → HCID 86657955, compound

HRID 1141543Notes

Reaction equation

HRID 1141543 reaction equation
[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[cH:3][c:4]([CH2:9][C:10]([O:12][C:11]([CH3:13])([CH3:14])[CH3:15])=[O:16])[cH:5][n:6][c:7]1[Cl:8].[Cl:73][CH2:74][Cl:75].[F:17][C:18]([F:19])([F:20])[C:21]([OH:22])=[O:23].[NH2:24][c:25]1[cH:26][cH:27][c:28]([N:31]2[CH2:32][CH2:33][N:34]([C:37]([CH3:38])=[O:39])[CH2:35][CH2:36]2)[cH:29][n:30]1.[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:12])[NH:24][c:25]2[cH:26][cH:27][c:28]([N:31]3[CH2:32][CH2:33][N:34]([C:37]([CH3:38])=[O:39])[CH2:35][CH2:36]3)[cH:29][n:30]2)[cH:5][n:6][c:7]1[Cl:8]

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 284116891-(4-(6-Aminopyridin-3-YL)piperazin-1-YL)ethan-1-oneHCID 58447890HCID 58447890, compound

Product 1

HCID 86657955HCID 86657955, compound

Sources & evidence

ORD record
ord-f93a26881fb84c37919fd7cbaffa0e5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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