3,5-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]benzamide → HCID 178496365, compound

HRID 1549211Notes

Reaction equation

HRID 1549211 reaction equation
[O:1]=[C:2]1[CH:3]([NH:22][C:23]([c:24]2[cH:25][c:26]([CH3:32])[c:27]([OH:31])[c:28]([CH3:30])[cH:29]2)=[O:33])[CH2:4][N:5]([C:17]([CH2:18][O:19][CH3:20])=[O:21])[c:6]2[c:7]([cH:13][cH:14][cH:15][cH:16]2)[N:8]1[CH2:9][C:10]([OH:11])=[O:12].[O:34]=[C:35]1[N:36]([CH2:37][C:43](=[O:44])[NH:45][CH:46]2[CH:47]([O:52][CH2:53][c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[O:48][C:49](=[O:51])[CH2:50]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][c:60]2[N:61]([C:62](=[O:63])[CH2:64][O:65][CH3:66])[CH2:67][CH:68]1[NH:69][C:70](=[O:71])[c:72]1[cH:73][c:74]([Cl:75])[c:76]([OH:77])[c:78]([Cl:79])[cH:80]1.[O:81]=[C:82]1[N:83]([CH2:84][C:85]([OH:86])=[O:87])[c:88]2[cH:89][cH:90][cH:91][cH:92][c:93]2[N:94]([C:95](=[O:96])[CH2:97][O:98][CH3:99])[CH2:100][CH:101]1[NH:102][C:103](=[O:104])[c:105]1[cH:106][c:107]([Cl:108])[c:109]([OH:110])[c:111]([Cl:112])[cH:113]1>>[O:1]=[C:2]1[CH:3]([NH:22][C:23]([c:24]2[cH:25][c:26]([CH3:32])[c:27]([OH:31])[c:28]([CH3:30])[cH:29]2)=[O:33])[CH2:4][N:5]([C:17]([CH2:18][O:19][CH3:20])=[O:21])[c:6]2[c:7]([cH:13][cH:14][cH:15][cH:16]2)[N:8]1[CH2:9][C:43](=[O:44])[NH:45][CH:46]1[CH:47]([O:52][CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[O:48][C:49](=[O:51])[CH2:50]1

Participants

4

Reactant 3

HCID 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 1784963662-[3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-(2-methoxyacetyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acidHCID 178496367HCID 178496367, compound

Product 1

HCID 178496365HCID 178496365, compound

Sources & evidence

ORD record
ord-7c11a1d9465d4404951755f65f7dac17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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