Dichloromethane → N-(3,5-bis(trifluoromethyl)phenyl)-2-(6-(4-(2-fluorophenyl)piperazine-1-carbonyl)-5-methyl-4-oxo thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide

HRID 173981Notes

Reaction equation

HRID 173981 reaction equation
[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:79][CH2:80][Cl:81].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([CH2:15][n:16]2[cH:17][n:18][c:19]3[c:20]([c:21]2=[O:22])[c:23]([CH3:29])[c:24]([C:26](=[O:27])[OH:28])[s:25]3)=[O:30])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:31])[F:32].[F:42][c:43]1[c:44]([N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[cH:45][cH:46][cH:47][cH:48]1.[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][C:64]([N:65]([CH3:66])[CH3:67])=[N+:68]([CH3:69])[CH3:70])[c:71]2[n:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([CH2:15][n:16]2[cH:17][n:18][c:19]3[c:20]([c:21]2=[O:22])[c:23]([CH3:29])[c:24]([C:26](=[O:28])[N:52]2[CH2:51][CH2:50][N:49]([c:44]4[c:43]([F:42])[cH:48][cH:47][cH:46][cH:45]4)[CH2:54][CH2:53]2)[s:25]3)=[O:30])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:31])[F:32]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 705291-(2-Fluorophenyl)piperazineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 453959523-(2-(3,5-Bis(trifluoromethyl)phenylamino)-2-oxoethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

Product 1

HCID 25114230N-(3,5-bis(trifluoromethyl)phenyl)-2-(6-(4-(2-fluorophenyl)piperazine-1-carbonyl)-5-methyl-4-oxo thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide

Sources & evidence

ORD record
ord-627677be109a45828a69dbfa2e12a1d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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