Water → Hydrochloric Acid

HRID 281099Notes

Reaction equation

HRID 281099 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[C:43]([P:44]([C:45]([CH3:46])([CH3:47])[CH3:48])[c:49]1[c:50]([CH3:51])[c:52]([CH3:53])[c:54]([CH3:55])[c:56]([CH3:57])[c:58]1-[c:59]1[c:60]([CH:61]([CH3:62])[CH3:63])[cH:64][c:65]([CH:66]([CH3:67])[CH3:68])[cH:69][c:70]1[CH:71]([CH3:72])[CH3:73])([CH3:74])([CH3:75])[CH3:76].[CH3:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[CH3:30][CH:31]1[NH:32][C:33](=[O:36])[O:34][CH2:35]1.[CH:133]([Cl:134])([Cl:135])[Cl:136].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][cH:24][c:25]([CH3:29])[cH:26][c:27]3[CH3:28])[CH2:20][CH2:21]2)[c:6]([N:8]2[C:9](=[O:13])[CH2:10][CH2:11][CH2:12]2)[cH:7]1.[Cs+:41].[Cs+:42].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[OH2:137].[Pd:77].[Pd:78]>>[ClH:1].[c:2]1([N:32]2[CH:31]([CH3:30])[CH2:35][O:34][C:33]2=[O:36])[cH:3][cH:4][c:5]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][cH:24][c:25]([CH3:29])[cH:26][c:27]3[CH3:28])[CH2:20][CH2:21]2)[c:6]([N:8]2[C:9](=[O:13])[CH2:10][CH2:11][CH2:12]2)[cH:7]1

Participants

12

Reactant 10

HCID 962WaterHCID 1140TolueneHCID 6212ChloroformHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 98554554-Methyl-1,3-oxazolidin-2-oneHCID 11953610Di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphaneHCID 584846981-{5-Chloro-2-[4-(3,5-dimethylpyridin-2-yl)piperazine-1-carbonyl]phenyl}pyrrolidin-2-one

Product 2

HCID 313Hydrochloric AcidHCID 673811773-[4-[4-(3,5-Dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(2-oxopyrrolidin-1-yl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Sources & evidence

ORD record
ord-59758ce0e47c4608af4578c20967d3f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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