Hydrochloric Acid → HCID 178457419, compound

HRID 1123209Notes

Reaction equation

HRID 1123209 reaction equation
[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:8]([O:10][CH3:9])=[O:11])[cH:12][c:13](-[c:15]2[s:16][cH:17][cH:18][n:19]2)[cH:14]1)[CH2:20][CH2:21][CH3:22].[CH3:83][OH:84].[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[ClH:56].[ClH:57].[Li+:92].[NH2:58][CH:59]([CH:60]([CH2:61][NH:62][CH2:63][c:64]1[cH:65][c:66]([CH2:70][CH3:71])[cH:67][cH:68][cH:69]1)[OH:72])[CH2:73][c:74]1[cH:75][c:76]([F:81])[cH:77][c:78]([F:80])[cH:79]1.[O:85]1[CH2:86][CH2:87][CH2:88][CH2:89]1.[OH-:91].[OH2:82].[OH2:90].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:8](=[O:10])[NH:58][CH:59]([CH:60]([CH2:61][NH:62][CH2:63][c:64]2[cH:65][c:66]([CH2:70][CH3:71])[cH:67][cH:68][cH:69]2)[OH:72])[CH2:73][c:74]2[cH:75][c:76]([F:81])[cH:77][c:78]([F:80])[cH:79]2)[cH:12][c:13](-[c:15]2[s:16][cH:17][cH:18][n:19]2)[cH:14]1)[CH2:20][CH2:21][CH3:22]

Participants

13

Reactant 12

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 21086191Methyl 3-{[methyl(propyl)amino]carbonyl}-5-(1,3-thiazol-2-yl)benzoateHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 1

HCID 178457419HCID 178457419, compound

Sources & evidence

ORD record
ord-5cb05732d42b494e83bbf03b9a4fd3be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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