Sodium ion → 2-(1,4-Diaza-bicyclo[3.2.2]non-4-yl)-benzoimidazole-1-carboxylic acid tert-butyl ester

HRID 121358

Reaction equation

HRID 121358 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([Cl:17])[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[N:18]12[CH2:19][CH2:20][NH:21][CH:22]([CH2:23][CH2:24]1)[CH2:25][CH2:26]2.[Na+:32].[O:35]=[C:36]([CH:37]=[CH:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[Pd:33].[Pd:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([N:21]2[CH2:20][CH2:19][N:18]3[CH2:24][CH2:23][CH:22]2[CH2:25][CH2:26]3)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

8

Reactant 7

HCID 923Sodium ionHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 3984071,4-Diazabicyclo(3.2.2)nonaneHCID 45749132-Methylpropan-2-olateHCID 23441223tert-Butyl 2-chloro-1H-benzo[d]imidazole-1-carboxylate

Product 1

HCID 691520292-(1,4-Diaza-bicyclo[3.2.2]non-4-yl)-benzoimidazole-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-47a50c37dbe64408b68cd94f1373224b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…