Hydrochloric Acid → HCID 11617146, compound

HRID 203273Notes

Reaction equation

HRID 203273 reaction equation
[Br:44][c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[C:68](=[O:69])([O-:70])[O-:71].[CH:74]([Cl:75])([Cl:76])[Cl:77].[CH:78](=[CH:79][C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)=[O:89])[c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Cl:51][c:52]1[cH:53][c:54]([NH:58][C:59](=[O:60])[c:61]2[n:62][c:63]([CH3:67])[s:64][c:65]2[NH2:66])[cH:55][cH:56][cH:57]1.[ClH:43].[Cs+:72].[Cs+:73].[O:97]1[CH2:98][CH2:99][O:100][CH2:101][CH2:102]1.[Pd:96].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[c:10]3[c:34]([cH:35][cH:36][cH:37]2)[C:31]([CH3:32])([CH3:33])[c:13]2[c:12]([c:17]([P:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:16][cH:15][cH:14]2)[O:11]3)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:45]1([NH:66][c:65]2[c:61]([C:59]([NH:58][c:54]3[cH:53][c:52]([Cl:51])[cH:57][cH:56][cH:55]3)=[O:60])[n:62][c:63]([CH3:67])[s:64]2)[cH:46][cH:47][n:48][cH:49][cH:50]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 6212ChloroformHCID 142684-BromopyridineHCID 19660Carbonate IonHCID 23938PalladiumHCID 312751,4-DioxaneHCID 95417Dibenzylidene acetoneHCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 11608689HCID 11608689, compound

Product 1

HCID 11617146HCID 11617146, compound

Sources & evidence

ORD record
ord-ce21da26c4804ac5a2a7180e1e06098a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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