Chloride → HCID 178465123, compound

HRID 206532Notes

Reaction equation

HRID 206532 reaction equation
[C:54](=[O:55])([O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[N:61]1[CH:62]([C:63](=[O:64])[OH:65])[CH2:66][CH2:67][CH2:68]1.[CH2:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH:30]([CH3:31])[CH3:32])[CH3:33].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43](=[O:44])[CH:45]([CH3:46])[NH:47][C:48](=[O:49])[CH:50]([CH3:51])[NH2+:52][CH3:53].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[Cl-:34].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43](=[O:44])[CH:45]([CH3:46])[NH:47][C:48](=[O:49])[CH:50]([CH3:51])[N:52]([CH3:53])[C:63]([CH:62]1[N:61]([C:54](=[O:55])[O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[CH2:68][CH2:67][CH2:66]1)=[O:65]

Participants

9

Reactant 8

HCID 312ChlorideHCID 1140TolueneHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2684721-[(Tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178486207HCID 178486207, compound

Product 1

HCID 178465123HCID 178465123, compound

Sources & evidence

ORD record
ord-da517977e6954d91a79ebb46d252aeff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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