Dichloromethane → HCID 178430559, compound

HRID 2128325Notes

Reaction equation

HRID 2128325 reaction equation
[CH:73]([N:74]([CH2:75][CH3:76])[CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[Cl:82][CH2:83][Cl:84].[Cl:8][c:9]1[c:10]([F:37])[c:11]([CH:15]2[CH:16]([C:34](=[O:35])[OH:36])[NH:17][CH:18]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:19]2([C:20]#[N:21])[c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13][cH:14]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:38][CH2:39][CH2:40][N:41]1[CH2:42][CH:43]([CH3:48])[O:44][CH:45]([CH3:47])[CH2:46]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:8][c:9]1[c:10]([F:37])[c:11]([CH:15]2[CH:16]([C:34](=[O:35])[NH:38][CH2:39][CH2:40][N:41]3[CH2:42][CH:43]([CH3:48])[O:44][CH:45]([CH3:47])[CH2:46]3)[NH:17][CH:18]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:19]2([C:20]#[N:21])[c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13][cH:14]1

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27564232-(2,6-Dimethylmorpholin-4-yl)ethanamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 686186553-(3-Chloro-2-fluorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid

Product 1

HCID 178430559HCID 178430559, compound

Sources & evidence

ORD record
ord-62d00c6c161a4a269760e5ea7267d80b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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