Dimethylformamide → 2-(4-{[5-chloro-2-{[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]amino}-4-(trifluoromethyl)phenyl]amino}phenyl)ethyl (4-methylphenyl)sulfonylcarbamate

HRID 1546206Notes

Reaction equation

HRID 1546206 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][C:12]([O:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([NH:22][c:23]3[c:24]([NH2:34])[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[c:27]([Cl:29])[cH:28]3)[cH:20][cH:21]2)=[O:35])[cH:6][cH:7]1.[CH3:36][n:37]1[n:38][c:39]([C:43](=[O:44])[OH:45])[cH:40][c:41]1[CH3:42].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:89][CH2:90][Cl:91].[O:92]=[CH:93][N:94]([CH3:95])[CH3:96].[OH:55][n:56]1[c:57]2[c:58]([cH:59][cH:60][cH:61][cH:62]2)[n:63][n:64]1.[P-:65]([F:66])([F:67])([F:68])([F:69])([F:70])[F:71].[n:72]1([O:73][C:74]([N:75]([CH3:76])[CH3:77])=[N+:78]([CH3:79])[CH3:80])[c:81]2[cH:82][cH:83][cH:84][cH:85][c:86]2[n:87][n:88]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][C:12]([O:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([NH:22][c:23]3[c:24]([NH:34][C:43]([c:39]4[n:38][n:37]([CH3:36])[c:41]([CH3:42])[cH:40]4)=[O:44])[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[c:27]([Cl:29])[cH:28]3)[cH:20][cH:21]2)=[O:35])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 5877571,5-dimethyl-1H-pyrazole-3-carboxylic acidHCID 866115012-(4-{[2-Amino-5-chloro-4-(trifluoromethyl)phenyl]amino}phenyl)ethyl (4-methylphenyl)sulfonylcarbamate

Product 1

HCID 865856292-(4-{[5-chloro-2-{[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]amino}-4-(trifluoromethyl)phenyl]amino}phenyl)ethyl (4-methylphenyl)sulfonylcarbamate

Sources & evidence

ORD record
ord-950d8fb99d6d4532a17db34da8484e0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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