Water → HCID 58540099, compound

HRID 2149328Notes

Reaction equation

HRID 2149328 reaction equation
[Br:13][c:14]1[c:15](=[O:22])[n:16]([CH3:21])[n:17][c:18]([Cl:20])[cH:19]1.[Cl:71][CH2:72][Cl:73].[N:1]1([CH2:5][c:6]2[cH:7][c:8]([NH2:12])[n:9][n:10]2[CH3:11])[CH2:2][CH2:3][CH2:4]1.[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[OH2:74].[Pd:75].[Pd:76].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[c:32]3[c:56]([cH:57][cH:58][cH:59]2)[C:53]([CH3:54])([CH3:55])[c:35]2[c:34]([c:39]([P:40]([c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[cH:38][cH:37][cH:36]2)[O:33]3)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[N:1]1([CH2:5][c:6]2[cH:7][c:8]([NH:12][c:14]3[c:15](=[O:22])[n:16]([CH3:21])[n:17][c:18]([Cl:20])[cH:19]3)[n:9][n:10]2[CH3:11])[CH2:2][CH2:3][CH2:4]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 585400285-(Azetidin-1-ylmethyl)-1-methyl-1H-pyrazol-3-amineHCID 592164744-Bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-one

Product 1

HCID 58540099HCID 58540099, compound

Sources & evidence

ORD record
ord-6580206cf5434110a6f9229bf0b41f76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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