Hydrochloric Acid → HCID 10161498, compound

HRID 1214410Notes

Reaction equation

HRID 1214410 reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[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[o:60][c:61]2[c:62]([n:63]1)[cH:64][cH:65][cH:66][cH:67]2.[OH2:74].[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:9])[NH:58][c:59]2[o: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

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 207072-AminobenzoxazoleHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 120105413-Cyclopentyl-2-(4-methanesulfonyl-3-nitrophenyl)-propionic acid

Product 1

HCID 10161498HCID 10161498, compound

Sources & evidence

ORD record
ord-9f864daed71949ad86b0c9caf000e7a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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