Hydrochloric Acid → N-benzothiazol-2-yl-3-cyclopentyl-2-(4-methanesulfonyl-3-nitro-phenyl)-propionamide

HRID 174254Notes

Reaction equation

HRID 174254 reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][c:13]([N+:21](=[O:22])[O-:23])[c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:68].[NH2:58][c:59]1[s:60][c:61]2[c:62]([n:63]1)[cH:64][cH:65][cH:66][cH:67]2.[OH2:69].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][P+:40]([N:41]([CH3:42])[CH3:43])([N:44]([CH3:45])[CH3:46])[N:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:58][c:59]2[s:60][c:61]3[c:62]([n:63]2)[cH:64][cH:65][cH:66][cH:67]3)[c:11]2[cH:12][c:13]([N+:21](=[O:22])[O-:23])[c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 8471TriethylamineHCID 8706Benzo(d)thiazol-2-amineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 120105413-Cyclopentyl-2-(4-methanesulfonyl-3-nitrophenyl)-propionic acid

Product 1

HCID 10140266N-benzothiazol-2-yl-3-cyclopentyl-2-(4-methanesulfonyl-3-nitro-phenyl)-propionamide

Sources & evidence

ORD record
ord-c6e62e3aa00b433882ac913d4eba4a2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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