Dimethylformamide → Tert-butyl 2-[4-[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-3-[4-[5-[(4-methoxyphenyl)methyl]-1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl]phenyl]propanoyl]amino]ethyl]phenyl]acetate
Reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([N:20]2[S:21](=[O:35])(=[O:36])[N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[C:23](=[O:25])[CH2:24]2)[cH:18][cH:19]1)[CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49]([CH2:50][c:51]1[cH:52][cH:53][c:54]([CH2:57][CH2:58][NH2:59])[cH:55][cH:56]1)=[O:60].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[Cl:82][CH2:83][Cl:84].[Cl:90][CH2:91][Cl:92].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH:61][n:62]1[c:63]2[c:64]([cH:65][cH:66][cH:67][cH:68]2)[n:69][n:70]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[NH:59][CH2:58][CH2:57][c:54]1[cH:53][cH:52][c:51]([CH2:50][C:49]([O:48][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:60])[cH:56][cH:55]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([N:20]2[S:21](=[O:35])(=[O:36])[N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[C:23](=[O:25])[CH2:24]2)[cH:18][cH:19]1)[CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1Participants
7
Reactant 6
HCID 6228Dimethylformamide2×
HCID 6344Dichloromethane2×
HCID 8857Ethyl Acetate
HCID 757711-Hydroxybenzotriazole
HCID 14775459tert-Butyl 2-(4-(2-aminoethyl)phenyl)acetate
HCID 671399082-[(2-Acetamido-3-phenylpropanoyl)amino]-3-[4-[5-[(4-methoxyphenyl)methyl]-1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl]phenyl]propanoic acidProduct 1
Sources & evidence
- ORD record
- ord-db3aecd41e7c47759c2efbdc9bfcc451
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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