Carbonate Ion → 4-(1-((2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-3-yl)morpholine

HRID 100400

Reaction equation

HRID 100400 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH:29]([CH3:30])([CH3:31])[c:32]1[nH:33][c:34]2[c:35]([n:36]1)[cH:37][cH:38][cH:39][cH:40]2.[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH:15]([N:17]4[CH2:18][CH2:19][O:20][CH2:21][CH2:22]4)[CH2:16]3)[n:8]([CH3:11])[c:9]2[n:10]1.[Cs+:45].[Cs+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:53].[Pd:54]>>[c:2]1(-[n:33]2[c:32]([CH:29]([CH3:30])[CH3:31])[n:36][c:35]3[c:34]2[cH:40][cH:39][cH:38][cH:37]3)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH:15]([N:17]4[CH2:18][CH2:19][O:20][CH2:21][CH2:22]4)[CH2:16]3)[n:8]([CH3:11])[c:9]2[n:10]1

Participants

8

Reactant 7

HCID 19660Carbonate IonHCID 221212-(propan-2-yl)-1H-1,3-benzodiazoleHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 596058532-Chloro-9-methyl-6-morpholin-4-yl-8-(3-morpholin-4-ylazetidin-1-ylmethyl)-9H-purine

Product 1

HCID 596060574-(1-((2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-3-yl)morpholine

Sources & evidence

ORD record
ord-2a82fe0950f448489676ee7468d41c48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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