Hydrochloric Acid → HCID 57736511, compound

HRID 2138240Notes

Reaction equation

HRID 2138240 reaction equation
[CH2:31]([CH3:32])[O:33][C:34]([CH2:35][CH2:36][NH2:37])=[O:38].[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH2:68]([Cl:69])[Cl:70].[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[ClH:30].[ClH:49].[F:1][c:2]1[c:3]([CH:9]([c:10]2[c:11]([CH3:19])[cH:12][c:13]([C:16](=[O:17])[OH:18])[n:14][cH:15]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[F:1][c:2]1[c:3]([CH:9]([c:10]2[c:11]([CH3:19])[cH:12][c:13]([C:16](=[O:17])[NH:37][CH2:36][CH2:35][C:34]([O:33][CH2:31][CH3:32])=[O:38])[n:14][cH:15]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 419889Ethyl 3-aminopropanoateHCID 577364395-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxylic acid

Product 1

HCID 57736511HCID 57736511, compound

Sources & evidence

ORD record
ord-e67fdfaa663d4ffcad03ee65d79a2a39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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