Chloride → HCID 72552568, compound

HRID 110403Notes

Reaction equation

HRID 110403 reaction equation
[C:23](=[O:24])([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[N:30]1[CH:31]([C:32](=[O:33])[OH:34])[CH2:35][CH2:36][CH2:37]1.[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[CH:12]([CH3:13])[NH:14][C:15](=[O:16])[CH:17]1[NH2+:18][CH2:19][CH2:20][CH2:21][CH2:22]1.[CH2:62]([N:63]([CH:64]([CH3:65])[CH3:66])[CH:67]([CH3:68])[CH3:69])[CH3:70].[CH2:71]([Cl:72])[Cl:73].[Cl-:1].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[CH:12]([CH3:13])[NH:14][C:15](=[O:16])[CH:17]1[N:18]([C:32]([CH:31]2[N:30]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:37][CH2:36][CH2:35]2)=[O:33])[CH2:19][CH2:20][CH2:21][CH2:22]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 6344DichloromethaneHCID 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 178464767HCID 178464767, compound

Product 1

HCID 72552568HCID 72552568, compound

Sources & evidence

ORD record
ord-2979cdbac41f49e38e200450b5c4c187
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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