Dimethylformamide → N-[5-(3,5-difluoro-benzenesulfonyl)-1-trityl-1H-indazol-3-yl]-4-(4-methyl-piperazin-1-yl)-2-[(tetrahydro-pyran-4-yl)-(2,2,2-trifluoro-acetyl)-amino]-benzamide
Reaction equation
[CH3:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[cH:16][c:17]([N:24]([C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[CH:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[CH2:13][CH2:14]1.[CH3:95][N:96]([CH3:97])[CH:98]=[O:99].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:37][C:38]([C:39]([Cl:40])=[O:41])=[O:42].[Cl:92][CH2:93][Cl:94].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:52][c:53]1[cH:54][c:55]([S:60](=[O:61])(=[O:62])[c:63]2[cH:64][c:65]3[c:66]([NH2:91])[n:67][n:68]([C:72]([c:73]4[cH:74][cH:75][cH:76][cH:77][cH:78]4)([c:79]4[cH:80][cH:81][cH:82][cH:83][cH:84]4)[c:85]4[cH:86][cH:87][cH:88][cH:89][cH:90]4)[c:69]3[cH:70][cH:71]2)[cH:56][c:57]([F:59])[cH:58]1>>[CH3:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[cH:16][c:17]([N:24]([C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[CH:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:18]([C:19](=[O:21])[NH:91][c:66]3[c:65]4[cH:64][c:63]([S:60]([c:55]5[cH:54][c:53]([F:52])[cH:58][c:57]([F:59])[cH:56]5)(=[O:61])=[O:62])[cH:71][cH:70][c:69]4[n:68]([C:72]([c:73]4[cH:74][cH:75][cH:76][cH:77][cH:78]4)([c:79]4[cH:80][cH:81][cH:82][cH:83][cH:84]4)[c:85]4[cH:86][cH:87][cH:88][cH:89][cH:90]4)[n:67]3)[cH:22][cH:23]2)[CH2:13][CH2:14]1Participants
8
Reactant 7
HCID 6228Dimethylformamide
HCID 6344Dichloromethane
HCID 6422Trifluoroacetic acid
HCID 65578Oxalyl chloride
HCID 81531Diisopropylethylamine
HCID 469281204-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoic acid
HCID 667370025-(3,5-difluoro-benzenesulfonyl)-1-trityl-1H-indazol-3-ylamineProduct 1
Sources & evidence
- ORD record
- ord-970bdbb9eab64fd19a5d5654e474e7b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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