Acetone → N-[3-[2-[2-(2-Ethoxyethoxy)ethoxy]ethoxy]-5-[(12-phenoxydodecyl)oxy]phenyl]-N-(2-methoxy-2-oxoethyl)glycine methyl ester
Reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH2:39]([CH3:40])[O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][Br:50].[CH3:108][C:109](=[O:110])[CH3:111].[CH3:1][O:2][C:3]([CH2:4][N:5]([CH2:6][C:7](=[O:8])[O:9][CH3:10])[c:11]1[cH:12][c:13]([OH:37])[cH:14][c:15]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][O:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:16]1)=[O:38].[CH3:59][O:60][C:61](=[O:62])[CH2:63][N:64]([c:65]1[cH:66][cH:67][c:68]([O:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][CH2:78][CH2:79][CH2:80][CH2:81][O:82][c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]([O:90][CH2:91][CH2:92][O:93][CH2:94][CH2:95][O:96][CH2:97][CH2:98][O:99][CH2:100][CH3:101])[cH:102]1)[CH2:103][C:104]([O:105][CH3:106])=[O:107].[I-:58].[K+:55].[K+:56].[Na+:57].[O:112]=[CH:113][N:114]([CH3:115])[CH3:116]>>[CH3:1][O:2][C:3]([CH2:4][N:5]([CH2:6][C:7](=[O:8])[O:9][CH3:10])[c:11]1[cH:12][c:13]([O:37][CH2:49][CH2:48][O:47][CH2:46][CH2:45][O:44][CH2:43][CH2:42][O:41][CH2:39][CH3:40])[cH:14][c:15]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][O:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:16]1)=[O:38]Participants
10
Reactant 9
HCID 180Acetone
HCID 813Potassium Cation2×
HCID 923Sodium ion
HCID 6228Dimethylformamide
HCID 19660Carbonate Ion
HCID 30165Iodide Ion
HCID 147041761-Bromo-2-(2-(2-ethoxyethoxy)ethoxy)ethane
HCID 19018973N-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-[(12-phenoxydodecyl)oxy]phenyl]-N-(2-methoxy-2-oxoethyl)glycine methyl ester
HCID 19388995N-[3-hydroxy-5-[(12-phenoxydodecyl)oxy]phenyl]-N-(2-methoxy-2-oxoethyl)glycine methyl esterProduct 1
Sources & evidence
- ORD record
- ord-facdd2625eea4e47a408926d161b07a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…