Hydrochloric Acid → HCID 77575969, compound

HRID 1203108Notes

Reaction equation

HRID 1203108 reaction equation
[CH3:39][C:40]1([CH3:41])[c:42]2[cH:43][cH:44][cH:45][c:46]([P:47]([c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[c:60]2[O:61][c:62]2[c:63]1[cH:64][cH:65][cH:66][c:67]2[P:68]([c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:81][C:82]([CH3:83])([O-:84])[CH3:85].[CH3:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[Cl:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([CH3:10])[CH:11]2[CH:12]([c:17]3[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]3)[CH2:13][NH:14][CH2:15][CH2:16]2)[cH:25][cH:26]1.[ClH:1].[I:27][c:28]1[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:37][cH:38]1.[Na+:86].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:132]=[C:133]([CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1)[CH:142]=[CH:143][c:144]1[cH:145][cH:146][cH:147][cH:148][cH:149]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[OH2:150].[Pd:94].[Pd:95]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([CH3:10])[CH:11]2[CH:12]([c:17]3[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]3)[CH2:13][N:14]([c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:37][cH:38]3)[CH2:15][CH2:16]2)[cH:25][cH:26]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 142891Ethyl 4-iodobenzoateHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 45749132-Methylpropan-2-olateHCID 775742364-chloro-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide

Product 1

HCID 77575969HCID 77575969, compound

Sources & evidence

ORD record
ord-f9ebc0b1219d4f10a47ae2af34df78b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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