Acetic Acid → HCID 22181327, compound

HRID 142179Notes

Reaction equation

HRID 142179 reaction equation
[C:43]([OH:44])(=[O:45])[CH3:46].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:47][C:48]#[N:49].[CH:1]1([CH2:4][n:5]2[c:6]([CH2:16][c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH3:25])[cH:21][cH:22]3)[n:7][c:8]3[c:9]2[n:10][cH:11][c:12]([NH:14][CH3:15])[cH:13]3)[CH2:2][CH2:3]1.[c:33]1([S:39](=[O:40])(=[O:41])[Cl:42])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH:1]1([CH2:4][n:5]2[c:6]([CH2:16][c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH3:25])[cH:21][cH:22]3)[n:7][c:8]3[c:9]2[n:10][cH:11][c:12]([N:14]([CH3:15])[S:39]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)(=[O:40])=[O:41])[cH:13]3)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6342AcetonitrileHCID 7369Benzenesulfonyl chlorideHCID 8471TriethylamineHCID 22181289HCID 22181289, compound

Product 1

HCID 22181327HCID 22181327, compound

Sources & evidence

ORD record
ord-89ea560d0221451287139c1481adf865
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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