Dichloromethane → 1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-3-isopropylpiperazin-2-one

HRID 1573890Notes

Reaction equation

HRID 1573890 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([CH:43]([CH3:44])[CH3:45])[C:10](=[O:42])[N:11]([CH2:14][c:15]2[n:16]([CH3:41])[c:17]3[n:18][c:19](-[n:30]4[c:31]([CH2:39][CH3:40])[n:32][c:33]5[c:34]4[cH:35][cH:36][cH:37][cH:38]5)[n:20][c:21]([N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[c:22]3[n:23]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:53][CH2:54][Cl:55].[F:46][C:47]([F:48])([F:49])[C:50]([OH:51])=[O:52]>>[NH:8]1[CH:9]([CH:43]([CH3:44])[CH3:45])[C:10](=[O:42])[N:11]([CH2:14][c:15]2[n:16]([CH3:41])[c:17]3[n:18][c:19](-[n:30]4[c:31]([CH2:39][CH3:40])[n:32][c:33]5[c:34]4[cH:35][cH:36][cH:37][cH:38]5)[n:20][c:21]([N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[c:22]3[n:23]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 596060354-[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]-2-isopropyl-3-oxopiperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 596060851-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-3-isopropylpiperazin-2-one

Sources & evidence

ORD record
ord-3757e8f92c6a44fc839805cbd726b349
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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