Chloride → HCID 178433467, compound

HRID 2349198Notes

Reaction equation

HRID 2349198 reaction equation
[C:33](=[O:34])([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[NH:40][CH:41]([CH2:42][c:43]1[cH:44][c:45]([F:50])[cH:46][c:47]([F:49])[cH:48]1)[C:51](=[O:52])[OH:53].[CH2:78]([N:79]([CH:80]([CH3:81])[CH3:82])[CH:83]([CH3:84])[CH3:85])[CH3:86].[CH3:2][CH:3]1[C:4](=[O:32])[N:5]2[CH2:6][CH2:7][CH2:8][CH:9]2[C:10](=[O:31])[O:11][CH2:12][CH:13]([NH3+:30])[C:14](=[O:29])[N:15]2[CH2:16][CH2:17][CH2:18][CH:19]2[C:20](=[O:28])[N:21]([CH3:27])[CH:22]([CH3:26])[C:23](=[O:25])[NH:24]1.[CH3:87][N:88]([CH3:89])[CH:90]=[O:91].[Cl-: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>>[CH3:2][CH:3]1[C:4](=[O:32])[N:5]2[CH2:6][CH2:7][CH2:8][CH:9]2[C:10](=[O:31])[O:11][CH2:12][CH:13]([NH:30][C:51]([CH:41]([NH:40][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:42][c:43]2[cH:44][c:45]([F:50])[cH:46][c:47]([F:49])[cH:48]2)=[O:52])[C:14](=[O:29])[N:15]2[CH2:16][CH2:17][CH2:18][CH:19]2[C:20](=[O:28])[N:21]([CH3:27])[CH:22]([CH3:26])[C:23](=[O:25])[NH:24]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 21865921N-Boc-3,5-difluoro-DL-phenylalanineHCID 178433470HCID 178433470, compound

Product 1

HCID 178433467HCID 178433467, compound

Sources & evidence

ORD record
ord-1dfb3f30b8894fa4b4e81cc8893d746f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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