Ethyl Acetate → methyl 4-(3-(2-((2,4-dichloro-3-((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yloxy)methyl)phenyl)(methyl)amino)-2-oxoethylamino)-3-oxopropyl)benzoate

HRID 291835Notes

Reaction equation

HRID 291835 reaction equation
[CH3:59][O:60][C:61](=[O:62])[c:63]1[cH:64][cH:65][c:66]([CH2:69][CH2:70][C:71](=[O:72])[OH:73])[cH:67][cH:68]1.[CH3:83][N:84]1[CH2:85][CH2:86][CH2:87][C:88]1=[O:89].[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[CH:74]([N:75]([CH:76]([CH3:77])[CH3:78])[CH2:79][CH3:80])([CH3:81])[CH3:82].[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:71]([CH2:70][CH2:69][c:66]1[cH:65][cH:64][c:63]([C:61]([O:60][CH3:59])=[O:62])[cH:68][cH:67]1)=[O:72]

Participants

8

Reactant 7

HCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 227166883-(4-(Methoxycarbonyl)phenyl)propanoic acidHCID 667603852-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamide

Product 1

HCID 66759939methyl 4-(3-(2-((2,4-dichloro-3-((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yloxy)methyl)phenyl)(methyl)amino)-2-oxoethylamino)-3-oxopropyl)benzoate

Sources & evidence

ORD record
ord-5f86f5847a6d4315813003387534cd76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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