Ethyl Acetate → 1-(2-(2-((2,4-dichloro-3-((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yloxy)methyl)phenyl)(methyl)amino)-2-oxoethylamino)-2-oxoethyl)-N-methylpiperidine-3-carboxamide
Reaction equation
[CH3:59][NH:60][C:61](=[O:62])[CH:63]1[CH2:64][N:65]([CH2:69][C:70](=[O:71])[OH:72])[CH2:66][CH2:67][CH2:68]1.[CH3:82][N:83]1[CH2:84][CH2:85][CH2:86][C:87]1=[O:88].[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[CH:73]([N:74]([CH:75]([CH3:76])[CH3:77])[CH2:78][CH3:79])([CH3:80])[CH3:81].[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.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]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:70]([CH2:69][N:65]1[CH2:64][CH:63]([C:61]([NH:60][CH3:59])=[O:62])[CH2:68][CH2:67][CH2:66]1)=[O:71]Participants
8
Reactant 7
HCID 8857Ethyl Acetate
HCID 9886Hexafluorophosphate
HCID 13387N-methyl-2-pyrrolidone
HCID 81531Diisopropylethylamine
HCID 130500O-benzotriazol-1-yl-tetramethyluronium
HCID 667593892-(3-(Methylcarbamoyl)piperidin-1-yl)acetic 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-methylacetamideProduct 1
Sources & evidence
- ORD record
- ord-7552152c91b6402d8d4e0ce8ac1849a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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