Dimethylformamide → 2-(2-methyl-1H-benzo[d]imidazol-1-yl)-4-morpholino-6-((3-morpholinoazetidin-1-yl)methyl)furo[3,2-d]pyrimidine

HRID 170732Notes

Reaction equation

HRID 170732 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:28][c:29]1[n:30][c:31]2[c:32]([nH:33]1)[cH:34][cH:35][cH:36][cH:37]2.[Cl:1][c:2]1[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH:14]([N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[CH2:15]1)[o:10]2.[Cs+:42].[Cs+:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:49].[Pd:50]>>[c:2]1(-[n:33]2[c:29]([CH3:28])[n:30][c:31]3[c:32]2[cH:34][cH:35][cH:36][cH:37]3)[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH:14]([N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[CH2:15]1)[o:10]2

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 119842-MethylbenzimidazoleHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 596052042-Chloro-4-morpholin-4-yl-6-(3-morpholin-4-ylazetidin-1-ylmethyl)furo[3,2-d]pyrimidine

Product 1

HCID 596058662-(2-methyl-1H-benzo[d]imidazol-1-yl)-4-morpholino-6-((3-morpholinoazetidin-1-yl)methyl)furo[3,2-d]pyrimidine

Sources & evidence

ORD record
ord-38bf6e177f8c47fe83ab6de2d53d8705
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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