Chloride → HCID 178422256, compound

HRID 125722Notes

Reaction equation

HRID 125722 reaction equation
[CH2:84]([N:85]([CH:86]([CH3:87])[CH3:88])[CH:89]([CH3:90])[CH3:91])[CH3:92].[CH3:2][CH:3]1[CH2:4][CH:5]2[C:6](=[O:35])[O:7][CH2:8][CH:9]([NH3+:34])[C:10](=[O:33])[N:11]3[CH2:12][CH2:13][CH2:14][CH:15]3[C:16](=[O:32])[N:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH:22]3[C:23](=[O:31])[NH:24][CH:25]([CH3:30])[C:26](=[O:29])[N:27]2[CH2:28]1.[CH3:93][N:94]([CH3:95])[CH:96]=[O:97].[CH:36]1([CH:42]=[CH:43][C:44](=[O:45])[NH:46][CH:47]([CH2:48][c:49]2[cH:50][c:51]([F:56])[cH:52][c:53]([F:55])[cH:54]2)[C:57](=[O:58])[OH:59])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[Cl-:1].[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:67]1([O:68][C:69]([N:70]([CH3:71])[CH3:72])=[N+:73]([CH3:74])[CH3:75])[c:76]2[n:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[CH3:2][CH:3]1[CH2:4][CH:5]2[C:6](=[O:35])[O:7][CH2:8][CH:9]([NH:34][C:57]([CH:47]([NH:46][C:44]([CH:43]=[CH:42][CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]3)=[O:45])[CH2:48][c:49]3[cH:50][c:51]([F:56])[cH:52][c:53]([F:55])[cH:54]3)=[O:58])[C:10](=[O:33])[N:11]3[CH2:12][CH2:13][CH2:14][CH:15]3[C:16](=[O:32])[N:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH:22]3[C:23](=[O:31])[NH:24][CH:25]([CH3:30])[C:26](=[O:29])[N:27]2[CH2:28]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 693070602-(3-Cyclohexylprop-2-enoylamino)-3-(3,5-difluorophenyl)propanoic acidHCID 178422257HCID 178422257, compound

Product 1

HCID 178422256HCID 178422256, compound

Sources & evidence

ORD record
ord-2509ad6f4d3d4214973ded2ca33556d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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