2-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamide → 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)-3-(6-(methylsulfonamido)pyridin-3-yl)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][n:11]1.[Cl:51][c:52]1[c:53]([CH2:54][O:55][c:56]2[c:57]3[n:58][c:59]([O:60][CH3:61])[n:62]([CH2:63][c:64]4[cH:65][cH:66][cH:67][cH:68][n:69]4)[c:70]3[cH:71][cH:72][cH:73]2)[c:74]([Cl:75])[cH:76][cH:77][c:78]1[N:79]([CH3:80])[C:81](=[O:82])[CH2:83][NH:84][C:85](=[O:86])[CH2:87][CH2:88][c:89]1[cH:90][cH:91][c:92]([C:93]([NH:94][CH2:95][CH2:96][O:97][CH3:98])=[O:99])[cH:100][cH:101]1.[NH2:17][CH2:18][C:19](=[O:20])[N:21]([CH3:22])[c:23]1[c:24]([Cl:50])[c:25]([CH2:30][O:31][c:32]2[cH:33][cH:34][cH:35][c:36]3[n:37]([CH2:43][c:44]4[n:45][cH:46][cH:47][cH:48][cH:49]4)[c:38]([O:41][CH3:42])[n:39][c:40]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:50])[c:25]([CH2:30][O:31][c:32]3[cH:33][cH:34][cH:35][c:36]4[n:37]([CH2:43][c:44]5[n:45][cH:46][cH:47][cH:48][cH:49]5)[c:38]([O:41][CH3:42])[n:39][c:40]34)[c:26]([Cl:29])[cH:27][cH:28]2)[cH:10][n:11]1Participants
4
Reactant 3
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 667605946-[(Methylsulfonyl)amino]-3-pyridinepropanoic acid
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-426dc427290746f38a9591e5371908ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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