Dichloromethane → 4-(8-((3,3-dimethylpiperazin-1-yl)methyl)-2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-9H-purin-6-yl)morpholine

HRID 200968Notes

Reaction equation

HRID 200968 reaction equation
[C:8]([O:9][C:10](=[O:11])[N:15]1[C:16]([CH3:49])([CH3:50])[CH2:17][N:18]([CH2:21][c:22]2[n:23]([CH3:48])[c:24]3[n:25][c:26](-[n:37]4[c:38]([CH2:46][CH3:47])[n:39][c:40]5[c:41]4[cH:42][cH:43][cH:44][cH:45]5)[n:27][c:28]([N:31]4[CH2:32][CH2:33][O:34][CH2:35][CH2:36]4)[c:29]3[n:30]2)[CH2:19][CH2:20]1)([CH3:12])([CH3:13])[CH3:14].[Cl:51][CH2:52][Cl:53].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[NH:15]1[C:16]([CH3:49])([CH3:50])[CH2:17][N:18]([CH2:21][c:22]2[n:23]([CH3:48])[c:24]3[n:25][c:26](-[n:37]4[c:38]([CH2:46][CH3:47])[n:39][c:40]5[c:41]4[cH:42][cH:43][cH:44][cH:45]5)[n:27][c:28]([N:31]4[CH2:32][CH2:33][O:34][CH2:35][CH2:36]4)[c:29]3[n:30]2)[CH2:19][CH2:20]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 674922904-[2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]-2,2-dimethylpiperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 596053114-(8-((3,3-dimethylpiperazin-1-yl)methyl)-2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-9H-purin-6-yl)morpholine

Sources & evidence

ORD record
ord-a654b71866d84423bac7cc1eafe6a7b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…