Hydrochloric Acid → HCID 23114772, compound

HRID 692398Notes

Reaction equation

HRID 692398 reaction equation
[CH2:37]([N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46])[CH3:47].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:48][N:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[CH3:67][OH:68].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[OH:20])[cH:16][n:17]2)[c:21]2[c:22]([F:28])[cH:23][cH:24][c:25]([F:27])[cH:26]2)[cH:6][cH:7]1.[Cl:64][CH2:65][Cl:66].[ClH:36]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[N:52]3[CH2:51][CH2:50][N:49]([CH3:48])[CH2:54][CH2:53]3)[cH:16][n:17]2)[c:21]2[c:22]([F:28])[cH:23][cH:24][c:25]([F:27])[cH:26]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 531671-MethylpiperazineHCID 23114724[6-[(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-3-yl]carboxylic acid

Product 1

HCID 23114772HCID 23114772, compound

Sources & evidence

ORD record
ord-303e44d20cc8490781f9f7061a679b54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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