Hydrochloric Acid → HCID 178494803, compound

HRID 308790Notes

Reaction equation

HRID 308790 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][C:11]([C:14](=[O:15])[OH:16])([CH2:17][CH2:18][O:19][CH3:20])[CH2:12][CH2:13]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:75][CH2:76][Cl:77].[ClH:21].[ClH:22].[F:23][C:24]([c:25]1[cH:26][c:27]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[n:28][cH:29][cH:30]1)([F:37])[F:38].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][C:11]([C:14](=[O:16])[N:34]2[CH2:33][CH2:32][N:31]([c:27]3[cH:26][c:25]([C:24]([F:23])([F:37])[F:38])[cH:30][cH:29][n:28]3)[CH2:36][CH2:35]2)([CH2:17][CH2:18][O:19][CH3:20])[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 112184921-[4-(Trifluoromethyl)pyridin-2-yl]piperazineHCID 725738881-(2-Methoxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid

Product 1

HCID 178494803HCID 178494803, compound

Sources & evidence

ORD record
ord-51ae1e67005d4b9c8cab5b546512241e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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