2-Methylbenzimidazole → 4-(5-(2-methyl-1H-benzo[d]imidazol-1-yl)-2-((3-morpholinoazetidin-1-yl)methyl)thiazolo[4,5-d]pyrimidin-7-yl)morpholine

HRID 1574707Notes

Reaction equation

HRID 1574707 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[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)[n: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)[s:10]2.[Cs+:42].[Cs+:43].[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:50].[Pd:51]>>[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)[n: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)[s:10]2

Participants

8

Reactant 7

HCID 119842-MethylbenzimidazoleHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 596060455-Chloro-7-morpholin-4-yl-2-(3-morpholin-4-yl-azetidin-1-ylmethyl)-thiazolo[4,5-d]pyrimidine

Product 1

HCID 596059564-(5-(2-methyl-1H-benzo[d]imidazol-1-yl)-2-((3-morpholinoazetidin-1-yl)methyl)thiazolo[4,5-d]pyrimidin-7-yl)morpholine

Sources & evidence

ORD record
ord-a88d2e0205ea4e8eb4410195a8075bc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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