3-(4-(Methylcarbamoyl)phenyl)propanoic acid → 4-(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-methylbenzamide
Reaction equation
[CH3:1][NH:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:8][CH2:9][C:10]([OH:11])=[O:12])[cH:13][cH:14]1)=[O:15].[Cl:50][c:51]1[c:52]([N:78]([C:79]([CH2:80][NH:81][C:82]([CH2:83][CH2:84][c:85]2[cH:86][cH:87][c:88]([C:89](=[O:90])[NH:91][CH2:92][CH2:93][O:94][CH3:95])[cH:96][cH:97]2)=[O:98])=[O:99])[CH3:100])[cH:53][cH:54][c:55]([Cl:77])[c:56]1[CH2:57][O:58][c:59]1[cH:60][cH:61][cH:62][c:63]2[n:64]([CH2:70][c:71]3[n:72][cH:73][cH:74][cH:75][cH:76]3)[c:65]([O:68][CH3:69])[n:66][c:67]12.[NH2:16][CH2:17][C:18]([N:19]([c:20]1[cH:21][cH:22][c:23]([Cl:24])[c:25]([CH2:26][O:27][c:28]2[c:29]3[n:30][c:31]([O:32][CH3:33])[n:34]([CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][n:41]4)[c:42]3[cH:43][cH:44][cH:45]2)[c:46]1[Cl:47])[CH3:48])=[O:49]>>[Cl:50][c:51]1[c:52]([N:78]([C:79]([CH2:80][NH:81][C:82]([CH2:83][CH2:84][c:85]2[cH:86][cH:87][c:88]([C:89](=[O:90])[NH:91][CH3:92])[cH:96][cH:97]2)=[O:98])=[O:99])[CH3:100])[cH:53][cH:54][c:55]([Cl:77])[c:56]1[CH2:57][O:58][c:59]1[cH:60][cH:61][cH:62][c:63]2[n:64]([CH2:70][c:71]3[n:72][cH:73][cH:74][cH:75][cH:76]3)[c:65]([O:68][CH3:69])[n:66][c:67]12Participants
4
Reactant 3
HCID 196034293-(4-(Methylcarbamoyl)phenyl)propanoic acid
HCID 667603852-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamide
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-b1cc13d452b44f3abf5aab2ec12cc97d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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