3-[4-[(Methanesulfonyl)amino]phenyl]propionic acid → N-(2-((2,4-dichloro-3-(((2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)-3-(4-(methylsulfonamido)phenyl)propanamide
Reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[cH:10][cH:11]1.[Cl:52][c:53]1[c:54]([CH2:55][O:56][c:57]2[c:58]3[n:59][c:60]([O:61][CH3:62])[n:63]([CH2:64][c:65]4[cH:66][cH:67][cH:68][cH:69][n:70]4)[c:71]3[cH:72][cH:73][cH:74]2)[c:75]([Cl:76])[cH:77][cH:78][c:79]1[N:80]([CH3:81])[C:82](=[O:83])[CH2:84][NH:85][C:86](=[O:87])[CH2:88][CH2:89][c:90]1[cH:91][cH:92][c:93]([C:94]([NH:95][CH2:96][CH2:97][O:98][CH3:99])=[O:100])[cH:101][cH:102]1.[NH2:17][CH2:18][C:19](=[O:20])[N:21]([CH3:22])[c:23]1[c:24]([Cl:51])[c:25]([CH2:30][O:31][c:32]2[cH:33][cH:34][cH:35][c:36]3[c:37]([O:43][CH2:44][c:45]4[n:46][cH:47][cH:48][cH:49][cH:50]4)[cH:38][c:39]([CH3:42])[n:40][c:41]23)[c:26]([Cl:29])[cH:27][cH:28]1>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][C:14](=[O:16])[NH:17][CH2:18][C:19](=[O:20])[N:21]([CH3:22])[c:23]2[c:24]([Cl:51])[c:25]([CH2:30][O:31][c:32]3[cH:33][cH:34][cH:35][c:36]4[c:37]([O:43][CH2:44][c:45]5[n:46][cH:47][cH:48][cH:49][cH:50]5)[cH:38][c:39]([CH3:42])[n:40][c:41]34)[c:26]([Cl:29])[cH:27][cH:28]2)[cH:10][cH:11]1Participants
4
Reactant 3
HCID 135283723-[4-[(Methanesulfonyl)amino]phenyl]propionic acid
HCID 232920198-[3-(N-glycyl-N-methylamino)-2,6-dichlorobenzyloxy]-2-methyl-4-(2-pyridylmethoxy)quinoline
HCID 667609784-(3-((2-((2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-N-(2-methoxyethyl)benzamideProduct 1
Sources & evidence
- ORD record
- ord-bc963a6cb6b7498bb14f3b9d14e8b79e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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