Methanol → 5-[7-(2-Chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-pyridine-2-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide

HRID 123184Notes

Reaction equation

HRID 123184 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:143][OH:144].[Cl:145][CH2:146][Cl:147].[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+:43].[Cs+:44].[N:22]1([CH2:27][CH2:28][NH:29][C:30](=[O:31])[c:32]2[n:33][cH:34][c:35]([Br:38])[cH:36][cH:37]2)[CH2:23][CH2:24][CH2:25][CH2:26]1.[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:125]=[C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)[CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:87].[Pd:88].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[c:54]3[c:78]([cH:79][cH:80][cH:81]2)[C:75]([CH3:76])([CH3:77])[c:57]2[c:56]([c:61]([P:62]([c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:60][cH:59][cH:58]2)[O:55]3)[cH:82][cH:83][cH:84][cH:85][cH:86]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:35]4[cH:34][n:33][c:32]([C:30]([NH:29][CH2:28][CH2:27][N:22]5[CH2:23][CH2:24][CH2:25][CH2:26]5)=[O:31])[cH:37][cH:36]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

10

Reactant 9

HCID 887MethanolHCID 6344DichloromethaneHCID 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 248227537-(2-Chloro-5-methoxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-amineHCID 587487285-Bromo-pyridine-2-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide

Product 1

HCID 598377865-[7-(2-Chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-pyridine-2-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide

Sources & evidence

ORD record
ord-939e899442a94afbbb368396a4958993
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…