Hydrochloric Acid → HCID 57736539, compound

HRID 2347781Notes

Reaction equation

HRID 2347781 reaction equation
[CH2:48]([N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57])[CH3:58].[CH2:66]([Cl:67])[Cl:68].[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[ClH:47].[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:30][CH:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[F:1][c:2]1[c:3]([CH:9]([c:10]2[c:11]([CH3:19])[cH:12][c:13]([C:16](=[O:18])[N:34]3[CH2:33][CH2:32][CH:31]([OH:30])[CH2:36][CH2:35]3)[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

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 79341Piperidin-4-olHCID 577364395-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxylic acid

Product 1

HCID 57736539HCID 57736539, compound

Sources & evidence

ORD record
ord-f36c2ec393674418bb3a1500563487d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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