N-(5-aminopentyl)-N-methyl-2-nitrobenzenesulfonamide → Methyl 3-cyclohexyl-2-[4-fluoro-2-[2-[5-[methyl-(2-nitrophenyl)sulfonylamino]pentylamino]-2-oxoethoxy]phenyl]-1-methylindole-6-carboxylate
Reaction equation
[CH:1]1([c:7]2[c:8](-[c:21]3[c:22]([O:27][CH2:28][C:29](=[O:30])[NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][N:37]([S:38](=[O:39])(=[O:40])[c:41]4[c:42]([N+:47](=[O:48])[O-:49])[cH:43][cH:44][cH:45][cH:46]4)[CH3:50])[cH:23][cH:24][cH:25][cH:26]3)[n:9]([CH3:20])[c:10]3[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:51]1([c:52]2[c:53]3[c:54]([cH:55][c:56]([C:57]([O:58][CH3:59])=[O:60])[cH:61][cH:62]3)[n:63]([CH3:64])[c:65]2-[c:66]2[cH:67][cH:68][c:69]([F:82])[cH:70][c:71]2[O:72][CH2:73][C:74]([OH:75])=[O:76])[CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]1.[NH2:83][CH2:84][CH2:85][CH2:86][CH2:87][CH2:88][N:89]([CH3:90])[S:91]([c:92]1[cH:93][cH:94][cH:95][cH:96][c:97]1[N+:98]([O-:99])=[O:100])(=[O:101])=[O:102]>>[CH:1]1([c:7]2[c:8](-[c:21]3[c:22]([O:27][CH2:28][C:29](=[O:30])[NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][N:37]([S:38](=[O:39])(=[O:40])[c:41]4[c:42]([N+:47](=[O:48])[O-:49])[cH:43][cH:44][cH:45][cH:46]4)[CH3:50])[cH:23][c:24]([F:82])[cH:25][cH:26]3)[n:9]([CH3:20])[c:10]3[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
4
Reactant 3
HCID 58244791N-(5-aminopentyl)-N-methyl-2-nitrobenzenesulfonamide
HCID 583178302-[2-(3-Cyclohexyl-6-methoxycarbonyl-1-methylindol-2-yl)-5-fluorophenoxy]acetic acid
HCID 67226077Methyl 3-cyclohexyl-1-methyl-2-[2-[2-[5-[methyl-(2-nitrophenyl)sulfonylamino]pentylamino]-2-oxoethoxy]phenyl]indole-6-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-91df835f74324454901e5416a8c4e1d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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