Water → 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Reaction equation
[CH3:102][N:103]([CH3:104])[CH:105]=[O:106].[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([CH2:9][NH:10][C:11](=[O:12])[O:13][CH2:14][CH:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2-[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]21)[C:28](=[O:29])[OH:30])[CH3:31].[CH:87]1([N:88]=[C:89]=[N:90][CH:91]2[CH2:92][CH2:93][CH2:94][CH2:95][CH2:96]2)[CH2:97][CH2:98][CH2:99][CH2:100][CH2:101]1.[Cl:56][CH2:57][Cl:58].[Cl:66][c:67]1[c:68]([C:69]([OH:70])=[O:71])[cH:72][cH:73][c:74]([C:76](=[O:77])[NH:78][CH2:79][c:80]2[cH:81][c:82]([OH:86])[cH:83][cH:84][cH:85]2)[cH:75]1.[F:59][C:60]([F:61])([F:62])[C:63]([OH:64])=[O:65].[OH2:107].[cH:32]1[c:33]2[c:52]([cH:53][cH:54][cH:55]1)-[c:47]1[c:46]([cH:51][cH:50][cH:49][cH:48]1)[CH:34]2[CH2:35][O:36][C:37]([NH:38][CH2:39][CH:40]([C:41]([OH:42])=[O:43])[NH2:44])=[O:45]>>[C:5](=[O:6])([NH:7][CH:8]([CH2:9][NH:10][C:11](=[O:12])[O:13][CH2:14][CH:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2-[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]21)[C:28](=[O:29])[OH:30])[c:68]1[c:67]([Cl:66])[cH:75][c:74]([C:76](=[O:77])[NH:78][CH2:79][c:80]2[cH:81][c:82]([OH:86])[cH:83][cH:84][cH:85]2)[cH:73][cH:72]1Participants
9
Reactant 8
HCID 962Water
HCID 6228Dimethylformamide
HCID 6344Dichloromethane
HCID 6422Trifluoroacetic acid
HCID 10868Dicyclohexylcarbodiimide
HCID 50567383-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoic acid
HCID 184162422-Amino-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
HCID 226613972-Chloro-4-[[(3-hydroxybenzyl)amino]carbonyl]benzoic acidProduct 1
Sources & evidence
- ORD record
- ord-ad81a8f704b441eb942a0fb1b85180d4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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