3-[[2-[(2-Benzamido-3-methylbutanoyl)-benzylamino]acetyl]amino]-4-oxobutanoic acid → 3-[[2-[(2-Benzamido-3-methylbutanoyl)-[[3-(carbamoylamino)phenyl]methyl]amino]acetyl]amino]-4-oxobutanoic acid

HRID 211740Notes

Reaction equation

HRID 211740 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]([C:11](=[O:12])[N:13]([CH2:14][C:15](=[O:16])[NH:17][CH:18]([CH2:19][C:20](=[O:21])[OH:22])[CH:23]=[O:24])[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH:32]([CH3:33])[CH3:34].[CH2:35]([O:36][C:37](=[O:38])[CH2:39][N:40]([C:41](=[O:42])[CH:43]([NH:44][C:45](=[O:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]([CH3:54])[CH3:55])[CH2:56][c:57]1[cH:58][cH:59][cH:60][c:61]([NH:62][C:63]([O:64][C:65]([CH3:66])([CH3:67])[CH3:68])=[O:69])[cH:70]1)[CH3:71].[CH2:72]([O:73][C:74](=[O:75])[CH2:76][N:77]([C:78](=[O:79])[CH:80]([NH:81][C:82](=[O:83])[c:84]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]([CH3:95])[CH3:96])[CH2:97][c:98]1[cH:99][cH:100][cH:101][c:102]([NH:85][C:86](=[O:87])[NH2:88])[cH:103]1)[CH3:104]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]([C:11](=[O:12])[N:13]([CH2:14][C:15](=[O:16])[NH:17][CH:18]([CH2:19][C:20](=[O:21])[OH:22])[CH:23]=[O:24])[CH2:25][c:26]1[cH:27][cH:28][cH:29][c:30]([NH:85][C:86](=[O:87])[NH2:88])[cH:31]1)[CH:32]([CH3:33])[CH3:34]

Participants

4

Reactant 3

HCID 544052443-[[2-[(2-Benzamido-3-methylbutanoyl)-benzylamino]acetyl]amino]-4-oxobutanoic acidHCID 56986570Ethyl 2-[(2-benzamido-3-methylbutanoyl)-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]amino]acetateHCID 57245688Ethyl 2-[(2-benzamido-3-methylbutanoyl)-[[3-(carbamoylamino)phenyl]methyl]amino]acetate

Product 1

HCID 543949973-[[2-[(2-Benzamido-3-methylbutanoyl)-[[3-(carbamoylamino)phenyl]methyl]amino]acetyl]amino]-4-oxobutanoic acid

Sources & evidence

ORD record
ord-f86bc53c9f8647429da5cacbdeb7be12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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