Hydrochloric Acid → 3-{4-[4-(2-benzyloxycarbamoylethyl)-phenoxy]-phenyl}-N,N-dimethyl-2-(toluene-4-sulfonylamino)-propionamide

HRID 1553790Notes

Reaction equation

HRID 1553790 reaction equation
[CH2:66]([c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[O:73][NH2:74].[CH3:1][N:2]([C:3](=[O:4])[CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][CH2:19][C:20](=[O:21])[OH:22])[cH:16][cH:17]2)[cH:23][cH:24]1)[NH:25][S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]1)[CH3:36].[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[ClH:65].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][N:2]([C:3](=[O:4])[CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][CH2:19][C:20](=[O:21])[NH:74][O:73][CH2:66][c:67]3[cH:68][cH:69][cH:70][cH:71][cH:72]3)[cH:16][cH:17]2)[cH:23][cH:24]1)[NH:25][S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]1)[CH3:36]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 102313O-BenzylhydroxylamineHCID 159825783-(4-{4-[2-Dimethylcarbamoyl-2-(toluene-4-sulfonylamino)-ethyl]-phenoxy}-phenyl)-propionic acid

Product 1

HCID 724251493-{4-[4-(2-benzyloxycarbamoylethyl)-phenoxy]-phenyl}-N,N-dimethyl-2-(toluene-4-sulfonylamino)-propionamide

Sources & evidence

ORD record
ord-c9cd2d6de9d54fb89693c1283a2a05b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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