Dichloromethane → HCID 58447636, compound

HRID 109902Notes

Reaction equation

HRID 109902 reaction equation
[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][c:11]([CH2:14][C:15]([O:17][C:16]([CH3:18])([CH3:19])[CH3:20])=[O:21])[cH:12][n:13]2)[cH:7]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:78][CH2:79][Cl:80].[F:22][C:23]([F:24])([F:25])[C:26]([OH:27])=[O:28].[NH2:29][c:30]1[cH:31][cH:32][c:33]([N:36]2[CH2:37][CH2:38][N:39]([C:42]([CH3:43])=[O:44])[CH2:40][CH2:41]2)[cH:34][n:35]1.[P-:54]([F:55])([F:56])([F:57])([F:58])([F:59])[F:60].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[n:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][c:11]([CH2:14][C:15](=[O:17])[NH:29][c:30]3[cH:31][cH:32][c:33]([N:36]4[CH2:37][CH2:38][N:39]([C:42]([CH3:43])=[O:44])[CH2:40][CH2:41]4)[cH:34][n:35]3)[cH:12][n:13]2)[cH:7]1

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 58447797Tert-butyl 2-(2-(2-methylpyridin-4-yl)pyrimidin-5-yl)acetate

Product 1

HCID 58447636HCID 58447636, compound

Sources & evidence

ORD record
ord-9ae3bf7c786643b787d5370d68262cb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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