1,2-Dichloroethane → 3-[[4-[(2-Indol-1-ylacetyl)amino]phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

HRID 304229

Reaction equation

HRID 304229 reaction equation
[CH2:100]1[O:101][CH2:102][CH2:103][CH2:104]1.[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:14][O:15][C:16](=[O:17])[CH:18]([NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:27][S:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][O:49][C:50]([CH:51]([CH2:52][S:53][CH2:54][c:55]1[cH:56][cH:57][c:58]([NH:61][C:62]([CH2:63][n:64]2[cH:65][cH:66][c:67]3[cH:68][cH:69][cH:70][cH:71][c:72]23)=[O:73])[cH:59][cH:60]1)[NH:74][C:75](=[O:76])[O:77][C:78]([CH3:79])([CH3:80])[CH3:81])=[O:82].[CH3:86][N:87]([c:88]1[cH:89][cH:90][n:91][cH:92][cH:93]1)[CH3:94].[CH3:98][OH:99].[Cl:95][CH2:96][Cl:97].[ClH:85].[Na+:84].[OH-:83].[n:1]1([CH2:2][C:3]([OH:4])=[O:5])[c:6]2[c:7]([cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13]1>>[O:49]=[C:50]([CH:51]([CH2:52][S:53][CH2:54][c:55]1[cH:56][cH:57][c:58]([NH:61][C:62]([CH2:63][n:64]2[cH:65][cH:66][c:67]3[cH:68][cH:69][cH:70][cH:71][c:72]23)=[O:73])[cH:59][cH:60]1)[NH:74][C:75](=[O:76])[O:77][C:78]([CH3:79])([CH3:80])[CH3:81])[OH:82]

Participants

13

Reactant 12

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 904481H-Indole-1-acetic acidHCID 77559103Methyl 3-[(4-aminophenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateHCID 77559183Methyl 3-[[4-[(2-indol-1-ylacetyl)amino]phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Product 1

HCID 775592523-[[4-[(2-Indol-1-ylacetyl)amino]phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Sources & evidence

ORD record
ord-8d323997c9b44773a27449af2f422d3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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