Hydrochloric Acid → HCID 44231327, compound

HRID 1237203Notes

Reaction equation

HRID 1237203 reaction equation
[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[ClH:46].[NH2:47][c:48]1[cH:49][cH:50][c:51]2[c:52]([nH:53][c:54](=[O:56])[o:55]2)[cH:57]1.[O:11]=[C:12]([CH2:13][C:14](=[O:15])[OH:16])[N:17]1[CH2:18][CH2:19][N:20]([C:23]([c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)=[O:34])[CH2:21][CH2:22]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[O:11]=[C:12]([CH2:13][C:14](=[O:15])[NH:47][c:48]1[cH:49][cH:50][c:51]2[c:52]([nH:53][c:54](=[O:56])[o:55]2)[cH:57]1)[N:17]1[CH2:18][CH2:19][N:20]([C:23]([c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)=[O:34])[CH2:21][CH2:22]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 268565-Amino-2,3-dihydro-1,3-benzoxazol-2-oneHCID 757711-HydroxybenzotriazoleHCID 578758113-Oxo-3-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-propionic acid

Product 1

HCID 44231327HCID 44231327, compound

Sources & evidence

ORD record
ord-f515b1d5428046c78e136d1cc796f70f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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