Carbonate Ion → {4-[7-(2-Chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-phenyl}-(4-methyl-piperazin-1-yl)-methanone

HRID 675825

Reaction equation

HRID 675825 reaction equation
[Br:22][c:23]1[cH:24][cH:25][c:26]([C:29](=[O:30])[N:31]2[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]2)[cH:27][cH:28]1.[C:38](=[O:39])([O-:40])[O-:41].[CH:106](=[CH:107][C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)=[O:117])[c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[CH:124](=[CH:125][C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)=[O:135])[c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[CH:88](=[CH:89][C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)=[O:99])[c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH2:18])[n:16][n:17]3)[c:19]([CH3:21])[cH:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[Cs+:42].[Cs+:43].[Pd:86].[Pd:87].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[c:53]3[c:77]([cH:78][cH:79][cH:80]2)[C:74]([CH3:75])([CH3:76])[c:56]2[c:55]([c:60]([P:61]([c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[c:68]4[cH:69][cH:70][cH:71][cH:72][cH:73]4)[cH:59][cH:58][cH:57]2)[O:54]3)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH:18][c:23]4[cH:24][cH:25][c:26]([C:29](=[O:30])[N:31]5[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]5)[cH:27][cH:28]4)[n:16][n:17]3)[c:19]([CH3:21])[cH:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 44643521-(4-Bromobenzoyl)-4-methylpiperazineHCID 248227537-(2-Chloro-5-methoxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-amine

Product 1

HCID 59837642{4-[7-(2-Chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-phenyl}-(4-methyl-piperazin-1-yl)-methanone

Sources & evidence

ORD record
ord-cc3ee878e2f84a6a917552f1875b0e21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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