Hydrochloric Acid → HCID 66582315, compound

HRID 2328223Notes

Reaction equation

HRID 2328223 reaction equation
[Br:55][c:56]1[cH:57][cH:58][c:59]([C:62]([C:63]([F:64])([F:65])[F:66])([CH3:67])[OH:68])[cH:60][cH:61]1.[CH3:16][C:17]([CH3:18])([O-:19])[CH3:20].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH3:76][OH:77].[CH:22]1([P:23]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2-[c:36]2[c:37]([O:38][CH:39]([CH3:40])[CH3:41])[cH:42][cH:43][cH:44][c:45]2[O:46][CH:47]([CH3:48])[CH3:49])[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[ClH:1].[Na+:21].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:78].[Pd:79].[s:2]1[c:3]([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:4][cH:5][cH:6]1>>[s:2]1[c:3]([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([c:56]3[cH:57][cH:58][c:59]([C:62]([C:63]([F:64])([F:65])[F:66])([CH3:67])[OH:68])[cH:60][cH:61]3)[CH2:14][CH2:15]2)[cH:4][cH:5][cH:6]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 38658921-(thien-2-ylsulfonyl)piperazineHCID 45749132-Methylpropan-2-olateHCID 162179852-Dicyclohexylphosphino-2',6'-diisopropoxybiphenylHCID 583472902-(4-Bromophenyl)-1,1,1-trifluoropropan-2-ol

Product 1

HCID 66582315HCID 66582315, compound

Sources & evidence

ORD record
ord-eb796a675c8442e5ae3a22b638dd98a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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