Acetic Acid → HCID 178492879, compound

HRID 2316244Notes

Reaction equation

HRID 2316244 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([N:19]3[CH2:20][CH2:21][C:22](=[O:25])[CH2:23][CH2:24]3)[cH:17][cH:18]2)[cH:7][cH:8]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][OH:50].[ClH:26].[NH2:27][CH2:28][CH:29]([OH:30])[c:31]1[cH:32][c:33]([Cl:37])[cH:34][cH:35][cH:36]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([N:19]3[CH2:20][CH2:21][CH:22]([NH:27][CH2:28][CH:29]([OH:30])[c:31]4[cH:32][c:33]([Cl:37])[cH:34][cH:35][cH:36]4)[CH2:23][CH2:24]3)[cH:17][cH:18]2)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 8471TriethylamineHCID 37516012-Amino-1-(3-chlorophenyl)ethan-1-olHCID 222205564-Methoxy-N-[4-(4-oxo-piperidin-1-yl)-phenyl]benzenesulfonamide

Product 1

HCID 178492879HCID 178492879, compound

Sources & evidence

ORD record
ord-d25421579b7d42c8b38a0b082d701b6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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