3-(6-Acetamidopyridin-3-yl)propanoic acid → 3-(6-acetamidopyridin-3-yl)-N-(2-((2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)propanamide
Reaction equation
[C:35]([CH3:36])(=[O:37])[NH:38][c:39]1[cH:40][cH:41][c:42]([CH2:45][CH2:46][C:47](=[O:48])[OH:49])[cH:43][n:44]1.[Cl:50][c:51]1[c:52]([CH2:53][O:54][c:55]2[c:56]3[n:57][c:58]([O:59][CH3:60])[n:61]([CH2:62][c:63]4[cH:64][cH:65][cH:66][cH:67][n:68]4)[c:69]3[cH:70][cH:71][cH:72]2)[c:73]([Cl:74])[cH:75][cH:76][c:77]1[N:78]([CH3:79])[C:80](=[O:81])[CH2:82][NH:83][C:84](=[O:85])[CH2:86][CH2:87][c:88]1[cH:89][cH:90][c:91]([C:92]([NH:93][CH2:94][CH2:95][O:96][CH3:97])=[O:98])[cH:99][cH:100]1.[NH2:1][CH2:2][C:3](=[O:4])[N:5]([CH3:6])[c:7]1[c:8]([Cl:34])[c:9]([CH2:14][O:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[n:21]([CH2:27][c:28]4[n:29][cH:30][cH:31][cH:32][cH:33]4)[c:22]([O:25][CH3:26])[n:23][c:24]23)[c:10]([Cl:13])[cH:11][cH:12]1>>[NH:1]([CH2:2][C:3](=[O:4])[N:5]([CH3:6])[c:7]1[c:8]([Cl:34])[c:9]([CH2:14][O:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[n:21]([CH2:27][c:28]4[n:29][cH:30][cH:31][cH:32][cH:33]4)[c:22]([O:25][CH3:26])[n:23][c:24]23)[c:10]([Cl:13])[cH:11][cH:12]1)[C:47]([CH2:46][CH2:45][c:42]1[cH:41][cH:40][c:39]([NH:38][C:35]([CH3:36])=[O:37])[n:44][cH:43]1)=[O:48]Participants
4
Reactant 3
HCID 196032793-(6-Acetamidopyridin-3-yl)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-f16cee6973c348f4aad6640dd9741c68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…