Ethylene Glycol → 1-[3-[[4-(Dimethylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

HRID 288334

Reaction equation

HRID 288334 reaction equation
[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[CH:50]([Cl:51])([Cl:52])[Cl:53].[Cl:7][c:8]1[n:9][c:10]([N:17]([CH3:18])[CH3:19])[c:11]2[c:12]([n:13]1)[cH:14][cH:15][s:16]2.[ClH:20].[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:21][CH:22]1[CH2:23][N:24]([C:27]([CH2:28][c:29]2[cH:30][cH:31][c:32]([O:35][C:36]([F:37])([F:38])[F:39])[cH:33][cH:34]2)=[O:40])[CH2:25][CH2:26]1.[OH2:54].[OH:55][CH2:56][CH2:57][OH:58]>>[c:8]1([NH:21][CH:22]2[CH2:23][N:24]([C:27]([CH2:28][c:29]3[cH:30][cH:31][c:32]([O:35][C:36]([F:37])([F:38])[F:39])[cH:33][cH:34]3)=[O:40])[CH2:25][CH2:26]2)[n:9][c:10]([N:17]([CH3:18])[CH3:19])[c:11]2[c:12]([n:13]1)[cH:14][cH:15][s:16]2

Participants

9

Reactant 8

HCID 174Ethylene GlycolHCID 313Hydrochloric AcidHCID 962WaterHCID 6212ChloroformHCID 279461-PyrrolidinamineHCID 81531DiisopropylethylamineHCID 202849982-chloro-N,N-dimethylthieno[3,2-d]pyrimidin-4-amineHCID 674442381-(3-Aminopyrrolidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

Product 1

HCID 674434781-[3-[[4-(Dimethylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

Sources & evidence

ORD record
ord-bd27e08e85e048bd83e0fc9b48beb3aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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