Hydrochloric Acid → HCID 178465456, compound

HRID 1573458Notes

Reaction equation

HRID 1573458 reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:12])[OH:13].[C:64](=[O:65])([O-:66])[O-:67].[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63].[Cl:70][CH2:71][Cl:72].[ClH:38].[ClH:39].[Na+:68].[Na+:69].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1.[nH:40]1[n:41][cH:42][c:43](-[c:45]2[cH:46][cH:47][c:48]([C:51]3([NH2:54])[CH2:52][CH2:53]3)[n:49][n:50]2)[cH:44]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:13])[NH:54][C:51]1([c:48]2[cH:47][cH:46][c:45](-[c:43]3[cH:42][nH:41][n:40][cH:44]3)[n:50][n:49]2)[CH2:52][CH2:53]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 19660Carbonate IonHCID 81531DiisopropylethylamineHCID 2684712-N-Boc-aminopropionic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67514829HCID 67514829, compound

Product 1

HCID 178465456HCID 178465456, compound

Sources & evidence

ORD record
ord-19660123fa4c48cc88582f162b8bc3cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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