Hydrochloric Acid → HCID 72337369, compound

HRID 1546213Notes

Reaction equation

HRID 1546213 reaction equation
[CH3:1][O:2][c:3]1[o:4][c:5]([C:8](=[O:9])[OH:10])[cH:6][n:7]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cl:71][CH2:72][Cl:73].[ClH:11].[NH2:12][CH:13]([CH2:14][CH:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH3:21])[CH2:22][c:23]1[cH:24][cH:25][c:26](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:27][cH:28]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][O:2][c:3]1[o:4][c:5]([C:8](=[O:10])[NH:12][CH:13]([CH2:14][CH:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH3:21])[CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[cH:6][n:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 553038672-Methoxyoxazole-5-carboxylic acidHCID 57004314Ethyl 4-amino-2-methyl-5-(4-phenylphenyl)pentanoate

Product 1

HCID 72337369HCID 72337369, compound

Sources & evidence

ORD record
ord-ff7b7cee31cf454daf2b282fef596426
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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