Hydrochloric Acid → HCID 178458350, compound

HRID 146118Notes

Reaction equation

HRID 146118 reaction equation
[C:37]([CH3:38])([CH3:39])([CH3:40])[N:41]1[CH2:42][CH:43]([C:54]([OH:55])=[O:56])[CH:44]([c:46]2[c:47]([F:53])[cH:48][c:49]([F:52])[cH:50][cH:51]2)[CH2:45]1.[CH3:2][c:3]1[cH:4][c:5]([C:23]([CH2:24][CH3:25])=[O:26])[c:6]([CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[cH:7][c:8]1[CH3:9].[CH3:81][CH2:82][O:83][C:84]([CH3:85])=[O:86].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:87][CH2:88][Cl:89].[ClH:1].[ClH:36].[OH2:90].[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[CH3:2][c:3]1[cH:4][c:5]([C:23]([CH2:24][CH3:25])=[O:26])[c:6]([CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[CH:43]3[CH2:42][N:41]([C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:45][CH:44]3[c:46]3[c:47]([F:53])[cH:48][c:49]([F:52])[cH:50][cH:51]3)[CH2:14][CH2:15]2)[cH:7][c:8]1[CH3:9]

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 226407651-tert-Butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acidHCID 58660101Tert-butyl 4-(4,5-dimethyl-2-propionylphenyl)piperidine-1-carboxylate

Product 1

HCID 178458350HCID 178458350, compound

Sources & evidence

ORD record
ord-4db6be78ed554e1481d39faf8e1ec50d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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