Dichloromethane → N-(allylsulfonyl)-4-(4-(4-(but-3-enyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzamide

HRID 2138985Notes

Reaction equation

HRID 2138985 reaction equation
[CH2:1]([CH2:2][CH:3]=[CH2:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][NH:11][c:12]2[n:13][c:14]([NH:24][c:25]3[cH:26][cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33]3)[n:15][c:16]([O:18][CH2:19][C:20]([F:21])([F:22])[F:23])[n:17]2)[cH:34][cH:35]1.[CH2:36]([CH:37]=[CH2:38])[S:39](=[O:40])(=[O:41])[NH2:42].[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[Cl:76][CH2:77][Cl:78].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[CH2:1]([CH2:2][CH:3]=[CH2:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][NH:11][c:12]2[n:13][c:14]([NH:24][c:25]3[cH:26][cH:27][c:28]([C:29](=[O:31])[NH:42][S:39]([CH2:36][CH:37]=[CH2:38])(=[O:40])=[O:41])[cH:32][cH:33]3)[n:15][c:16]([O:18][CH2:19][C:20]([F:21])([F:22])[F:23])[n:17]2)[cH:34][cH:35]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 14028213Prop-2-ene-1-sulfonamideHCID 670742904-(4-(4-(But-3-enyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoic acid

Product 1

HCID 67074327N-(allylsulfonyl)-4-(4-(4-(but-3-enyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzamide

Sources & evidence

ORD record
ord-90a4d97fc580470b9c5e117873397c16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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