Hydrochloric Acid → HCID 178491603, compound

HRID 1570085Notes

Reaction equation

HRID 1570085 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][CH:7]([C:8](=[O:9])[OH:10])[NH:11][C:12]([c:13]1[cH:14][c:15]([CH:21]=[CH:22][c:23]2[cH:24][cH:25][c:26]([O:29][C:30]([F:31])([F:32])[F:33])[cH:27][cH:28]2)[c:16]([O:19][CH3:20])[cH:17][cH:18]1)=[O:34].[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[ClH:50].[OH2:39].[OH:35][CH2:36][CH2:37][NH2:38].[n:40]1([OH:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][CH:7]([C:8](=[O:9])[NH:38][CH2:37][CH2:36][OH:35])[NH:11][C:12]([c:13]1[cH:14][c:15]([CH:21]=[CH:22][c:23]2[cH:24][cH:25][c:26]([O:29][C:30]([F:31])([F:32])[F:33])[cH:27][cH:28]2)[c:16]([O:19][CH3:20])[cH:17][cH:18]1)=[O:34]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 700EthanolamineHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 670021912-[[4-Methoxy-3-[2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

Product 1

HCID 178491603HCID 178491603, compound

Sources & evidence

ORD record
ord-bc5c625cf9504d20b5a8e75bc89c82ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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