Dimethylformamide → 4-tert-Butyl-N-(3-(6-(4-(1-(isopropyl(methyl)amino)-2-(4-methylpiperazin-1-yl)-2-oxoethyl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)benzamide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:42])[c:14](-[c:18]3[cH:19][n:20]([CH3:41])[c:21](=[O:40])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([CH:31]([C:32](=[O:33])[OH:34])[N:35]([CH3:36])[CH:37]([CH3:38])[CH3:39])[cH:29][cH:30]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:43][cH:44]1.[CH3:45][N:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[P-:61]([F:62])([F:63])([F:64])([F:65])([F:66])[F:67].[n:68]1([O:69][P+:70]([N:71]([CH3:72])[CH3:73])([N:74]([CH3:75])[CH3:76])[N:77]([CH3:78])[CH3:79])[c:80]2[cH:81][cH:82][cH:83][cH:84][c:85]2[n:86][n:87]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:42])[c:14](-[c:18]3[cH:19][n:20]([CH3:41])[c:21](=[O:40])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([CH:31]([C:32](=[O:33])[N:49]5[CH2:48][CH2:47][N:46]([CH3:45])[CH2:51][CH2:50]5)[N:35]([CH3:36])[CH:37]([CH3:38])[CH3:39])[cH:29][cH:30]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:43][cH:44]1Participants
7
Reactant 6
HCID 6228Dimethylformamide
HCID 9886Hexafluorophosphate
HCID 531671-Methylpiperazine
HCID 81531Diisopropylethylamine
HCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium
HCID 576251502-(4-{6-[3-(4-tert-Butylbenzamido)-2-methylphenyl]-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino}phenyl)-2-[isopropyl(methyl)amino]acetic AcidProduct 1
Sources & evidence
- ORD record
- ord-cc1dbf66dcf2473c9b88d18167dca45b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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