Hydrochloric Acid → ethyl 3-[({4-[(1-{5-chloro-1-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl}heptyl)amino]phenyl}carbonyl)amino]propanoate

HRID 206295Notes

Reaction equation

HRID 206295 reaction equation
[CH2:39]([CH3:40])[O:41][C:42]([CH2:43][CH2:44][NH2:45])=[O:46].[CH2:59]([N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68])[CH3:69].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH3:76][CH2:77][N:78]([CH2:79][CH3:80])[CH2:81][CH3:82].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[NH:28][c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37]3)[n:7](-[c:11]3[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]3)[c:8]2[cH:9][cH:10]1.[ClH:38].[ClH:58].[ClH:70].[OH2:47].[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[NH:28][c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[NH:45][CH2:44][CH2:43][C:42]([O:41][CH2:39][CH3:40])=[O:46])[cH:36][cH:37]3)[n:7](-[c:11]3[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]3)[c:8]2[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 419889Ethyl 3-aminopropanoateHCID 667780454-[(1-{5-chloro-1-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl}heptyl)amino]benzoic acid

Product 1

HCID 66778999ethyl 3-[({4-[(1-{5-chloro-1-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl}heptyl)amino]phenyl}carbonyl)amino]propanoate

Sources & evidence

ORD record
ord-8c3706639843406f949b6d5de87884f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…