Acetic Acid → HCID 22181296, compound

HRID 1560284Notes

Reaction equation

HRID 1560284 reaction equation
[C:42]([OH:43])(=[O:44])[CH3:45].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:46][C:47]#[N:48].[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.[s:33]1[c:34]([S:38](=[O:39])(=[O:40])[Cl:41])[cH:35][cH:36][cH:37]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:38]([c:34]2[s:33][cH:37][cH:36][cH:35]2)(=[O:39])=[O:40])[cH:13]3)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 855182-Thiophenesulfonyl chlorideHCID 22181289HCID 22181289, compound

Product 1

HCID 22181296HCID 22181296, compound

Sources & evidence

ORD record
ord-fe950f0cecd24c4b966afc5f1f41ce4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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