Dimethylformamide → 1-(2-(4-(Benzo[d]thiazol-2-ylsulfonyl)-3-oxopiperazin-1-yl)-2-oxoethyl)-5-methylpyrimidine-2,4(1H,3H)-dione

HRID 691121Notes

Reaction equation

HRID 691121 reaction equation
[CH:73]([N:74]([CH:75]([CH3:76])[CH3:77])[CH2:78][CH3:79])([CH3:80])[CH3:81].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:27]1([CH2:36][C:37](=[O:38])[OH:39])[c:28](=[O:29])[nH:30][c:31](=[O:32])[c:33]([CH3:34])[cH:35]1.[n:47]1([O:48][P+:49]([N:50]2[CH2:51][CH2:52][CH2:53][CH2:54]2)([N:55]2[CH2:56][CH2:57][CH2:58][CH2:59]2)[N:60]2[CH2:61][CH2:62][CH2:63][CH2:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1.[s:8]1[c:9]([S:17](=[O:18])(=[O:19])[N:20]2[C:21](=[O:26])[CH2:22][NH:23][CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[s:8]1[c:9]([S:17](=[O:18])(=[O:19])[N:20]2[C:21](=[O:26])[CH2:22][N:23]([C:37]([CH2:36][n:27]3[c:28](=[O:29])[nH:30][c:31](=[O:32])[c:33]([CH3:34])[cH:35]3)=[O:38])[CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 8537532-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acidHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 218683881-(1,3-Benzothiazol-2-ylsulfonyl)piperazin-2-one

Product 1

HCID 112712061-(2-(4-(Benzo[d]thiazol-2-ylsulfonyl)-3-oxopiperazin-1-yl)-2-oxoethyl)-5-methylpyrimidine-2,4(1H,3H)-dione

Sources & evidence

ORD record
ord-e298b83d16e04e09955237e4ba0d967f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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