Hydrochloric Acid → HCID 57874482, compound

HRID 172442Notes

Reaction equation

HRID 172442 reaction equation
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:49].[ClH:50].[F:51][C:52]([c:53]1[cH:54][c:55]([O:56][CH:57]2[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]2)[cH:63][cH:64][cH:65]1)([F:66])[F:67].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[n:19][o:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:60]3[CH2:59][CH2:58][CH:57]([O:56][c:55]4[cH:54][c:53]([C:52]([F:51])([F:66])[F:67])[cH:65][cH:64][cH:63]4)[CH2:62][CH2:61]3)[n:19][o:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 129995794-(3-(Trifluoromethyl)phenoxy)piperidineHCID 433543392-[(5-Phenyl-1,2-oxazol-3-yl)formamido]acetic acid

Product 1

HCID 57874482HCID 57874482, compound

Sources & evidence

ORD record
ord-b5b4e3a0276542af835ec295015050af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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