Dimethylformamide → 4-(4-(4-(allyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)-N-(2-(allylsulfonamido)-2-oxoethyl)benzamide

HRID 2340444Notes

Reaction equation

HRID 2340444 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][c:11]2[n:12][c:13]([NH:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][C:32](=[O:33])[OH:34])[cH:35][cH:36]3)[n:14][c:15]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[n:16]2)[cH:37][cH:38]1.[CH2:39]([CH:40]=[CH2:41])[S:42](=[O:43])(=[O:44])[NH2:45].[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][c:11]2[n:12][c:13]([NH:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][C:32](=[O:33])[NH:45][S:42]([CH2:39][CH:40]=[CH2:41])(=[O:43])=[O:44])[cH:35][cH:36]3)[n:14][c:15]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[n:16]2)[cH:37][cH:38]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 14028213Prop-2-ene-1-sulfonamideHCID 670747022-(4-(4-(4-(Allyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzamido)acetic acid

Product 1

HCID 670741264-(4-(4-(allyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)-N-(2-(allylsulfonamido)-2-oxoethyl)benzamide

Sources & evidence

ORD record
ord-16d76114bcf743aaa80a792841b4b566
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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