2-Oxo-3-benzoylamino-5-acetyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-acetic acid → 3,5-dichloro-4-hydroxy-N-[1-(2-hydroxyacetyl)-4-oxo-5-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]benzamide

HRID 321368Notes

Reaction equation

HRID 321368 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[CH2:5][N:6]1[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[NH:13][CH2:14][CH:15]([NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[C:24]1=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[O:32]=[C:33]1[N:34]([CH2:35][C:36]([OH:37])=[O:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[N:45]([C:46](=[O:47])[CH3:48])[CH2:49][CH:50]1[NH:51][C:52](=[O:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]1[CH:62]([NH:95][C:96]([c:97]2[cH:98][c:99]([Cl:105])[c:100]([OH:104])[c:101]([Cl:103])[cH:102]2)=[O:106])[CH2:63][N:64]([C:90]([CH2:91][O:92][CH3:93])=[O:94])[c:65]2[c:66]([cH:86][cH:87][cH:88][cH:89]2)[N:67]1[CH2:68][C:69](=[O:70])[NH:71][CH:72]1[CH:73]([O:78][CH2:79][c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[O:74][C:75](=[O:77])[CH2:76]1>>[O:60]=[C:61]1[CH:62]([NH:95][C:96]([c:97]2[cH:98][c:99]([Cl:105])[c:100]([OH:104])[c:101]([Cl:103])[cH:102]2)=[O:106])[CH2:63][N:64]([C:90]([CH2:91][OH:92])=[O:94])[c:65]2[c:66]([cH:86][cH:87][cH:88][cH:89]2)[N:67]1[CH2:68][C:69](=[O:70])[NH:71][CH:72]1[CH:73]([O:78][CH2:79][c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[O:74][C:75](=[O:77])[CH2:76]1

Participants

4

Reactant 3

HCID 184657172-Oxo-3-benzoylamino-5-acetyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-acetic acidHCID 184657823,5-dichloro-4-hydroxy-N-[1-(2-methoxyacetyl)-4-oxo-5-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]benzamideHCID 178452906benzyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetate

Product 1

HCID 1785212563,5-dichloro-4-hydroxy-N-[1-(2-hydroxyacetyl)-4-oxo-5-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]benzamide

Sources & evidence

ORD record
ord-1553e2c397c941ecb852f48560841966
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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