Dimethyl Sulfoxide → HCID 3625286, compound

HRID 687761Notes

Reaction equation

HRID 687761 reaction equation
[C:1]([O:2][C:3]([NH:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[NH:16][CH:17]([CH2:18][c:19]2[cH:20][c:21]([O:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:22][cH:23][cH:24]2)[C:32](=[O:33])[OH:34])[cH:12][cH:13]1)=[O:14])([CH3:15])([CH3:35])[CH3:36].[C:57]([O:58][C:59]([NH:60][CH2:61][CH:62]1[CH2:63][CH2:64][CH:65]([C:66]([NH:67][CH:68]([C:69]([OH:70])=[O:71])[CH2:72][c:73]2[cH:74][cH:75][cH:76][c:77]([O:78][c:79]3[cH:80][cH:81][cH:82][cH:83][cH:84]3)[cH:85]2)=[O:86])[CH2:87][CH2:88]1)=[O:89])([CH3:90])([CH3:91])[CH3:92].[CH2:37]([O:38][C:39]([CH2:40][CH2:41][NH-:42])=[O:43])[CH3:44].[CH3:100][S:101]([CH3:102])=[O:103].[Cl:47][c:48]1[cH:49][cH:50][c:51]([N+:52]([O-:53])=[O:54])[cH:55][n:56]1.[H-:45].[Na+:46].[n:93]1[cH:94][cH:95][c:96]([NH-:97])[cH:98][cH:99]1>>[NH2:16][CH:17]([CH2:18][c:19]1[cH:20][c:21]([O:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:22][cH:23][cH:24]1)[C:32](=[O:33])[OH:34]

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 783082-Chloro-5-nitropyridineHCID 166653HydrideHCID 570824272-[[4-[[(2-Methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]-3-(3-phenoxyphenyl)propanoic acidHCID 571952372-[[4-[[(2-Methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoic acidHCID 139232207Pyridin-4-ylazanideHCID 178472121HCID 178472121, compound

Product 1

HCID 3625286HCID 3625286, compound

Sources & evidence

ORD record
ord-3add309229a54456bdf5bc6dbd83492d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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