Acetate → HCID 22989961, compound

HRID 1123862Notes

Reaction equation

HRID 1123862 reaction equation
[CH2:19]([CH2:20][CH3:21])[O:22][CH2:23][CH2:24][O:25][c:26]1[cH:27][c:28]([O:32][B:33]([OH:34])[OH:35])[cH:29][cH:30][cH:31]1.[CH2:47]([Cl:48])[Cl:49].[CH3:36][C:37](=[O:38])[O-:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13]>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13])[c:28]1[cH:27][c:26]([O:25][CH2:24][CH2:23][O:22][CH2:19][CH2:20][CH3:21])[cH:31][cH:30][cH:29]1

Participants

6

Reactant 5

HCID 175AcetateHCID 6344DichloromethaneHCID 8471TriethylamineHCID 22989977Methyl 7-hydroxy-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylateHCID 22990109HCID 22990109, compound

Product 1

HCID 22989961HCID 22989961, compound

Sources & evidence

ORD record
ord-c2e9448c7ee342b4b40d09e00e0bf0bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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