Water → HCID 58044170, compound

HRID 2349508Notes

Reaction equation

HRID 2349508 reaction equation
[Br:15][c:16]1[c:17](=[O:24])[n:18]([CH3:23])[n:19][c:20]([Cl:22])[cH:21]1.[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH2:14])[n:12][cH:13]2)[CH2:6][CH2:7]1.[Cl:73][CH2:74][Cl:75].[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:67]1[CH2:68][CH2:69][O:70][CH2:71][CH2:72]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.[OH2:76].[Pd:77].[Pd:78].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[c:34]3[c:58]([cH:59][cH:60][cH:61]2)[C:55]([CH3:56])([CH3:57])[c:37]2[c:36]([c:41]([P:42]([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:40][cH:39][cH:38]2)[O:35]3)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:16]3[c:17](=[O:24])[n:18]([CH3:23])[n:19][c:20]([Cl:22])[cH:21]3)[n:12][cH:13]2)[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 6344DichloromethaneHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 223298335-(4-Methylpiperazin-1-yl)pyridin-2-amineHCID 592164744-Bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-one

Product 1

HCID 58044170HCID 58044170, compound

Sources & evidence

ORD record
ord-0e9acc63734c4432b3c0d9d1b08e40c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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