Hydrochloric Acid → HCID 59466300, compound

HRID 2343744Notes

Reaction equation

HRID 2343744 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[s:13][cH:14][cH:15][n:16]2)[cH:6][cH:7]1.[C:31]([P:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1-[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([CH3:49])([CH3:50])[CH3:51].[CH3:115][CH2:116][O:117][C:118]([CH3:119])=[O:120].[CH3:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[CH3:52][C:53]([CH3:54])([O-:55])[CH3:56].[ClH:58].[NH:17]1[CH2:18][CH2:19][CH:20]([NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:21][CH2:22]1.[Na+:57].[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]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.[OH2:121].[Pd:59].[Pd:60]>>[c:2]1([N:17]2[CH2:18][CH2:19][CH:20]([NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:21][CH2:22]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[s:13][cH:14][cH:15][n:16]2)[cH:6][cH:7]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 6693044-bromo-N-(1,3-thiazol-2-yl)benzene-1-sulfonamideHCID 7238334-(N-Boc-amino)piperidineHCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olate

Product 1

HCID 59466300HCID 59466300, compound

Sources & evidence

ORD record
ord-fe6dc3fd1e8842518250f65186de9e8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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