Hydrochloric Acid → 3-{4-[3-(1-Methyl-1H-benzoimidazol-2-yl)-phenyl]-piperazine-1-carbonyl}-morpholine-4-carboxylic acid tert-butyl ester

HRID 1559835Notes

Reaction equation

HRID 1559835 reaction equation
[C:17]([n:18]1[cH:19][cH:20][n:21][cH:22]1)([n:23]1[cH:24][cH:25][n:26][cH:27]1)=[O:28].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[OH:16])[CH2:10][O:11][CH2:12][CH2:13]1.[CH3:31][n:32]1[c:33](-[c:41]2[cH:42][c:43]([N:47]3[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]3)[cH:44][cH:45][cH:46]2)[n:34][c:35]2[c:36]1[cH:37][cH:38][cH:39][cH:40]2.[CH3:62][C:63]#[N:64].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[ClH:29].[ClH:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:16])[N:50]2[CH2:49][CH2:48][N:47]([c:43]3[cH:42][c:41](-[c:33]4[n:32]([CH3:31])[c:36]5[c:35]([n:34]4)[cH:40][cH:39][cH:38][cH:37]5)[cH:46][cH:45][cH:44]3)[CH2:52][CH2:51]2)[CH2:10][O:11][CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 682631,1'-CarbonyldiimidazoleHCID 81531DiisopropylethylamineHCID 27601334-(tert-Butoxycarbonyl)morpholine-3-carboxylic acidHCID 595683371-Methyl-2-(3-piperazin-1-ylphenyl)benzimidazole

Product 1

HCID 686711193-{4-[3-(1-Methyl-1H-benzoimidazol-2-yl)-phenyl]-piperazine-1-carbonyl}-morpholine-4-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-77e13c518c394aebaa0289c94a572e5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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