Acetate → HCID 22990082, compound

HRID 1140195Notes

Reaction equation

HRID 1140195 reaction equation
[CH2:19]([CH3:20])[O:21][CH2:22][CH2:23][O:24][c:25]1[c:26]([CH3:36])[cH:27][c:28]([O:32][B:33]([OH:34])[OH:35])[cH:29][c:30]1[CH3:31].[CH3:37][C:38](=[O:39])[O-:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:48][CH2:49][Cl:50].[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]([CH3:36])[c:25]([O:24][CH2:23][CH2:22][O:21][CH2:19][CH3:20])[c:30]([CH3:31])[cH:29]1

Participants

6

Reactant 5

HCID 175AcetateHCID 6344DichloromethaneHCID 8471TriethylamineHCID 22989940HCID 22989940, compoundHCID 22989977Methyl 7-hydroxy-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

Product 1

HCID 22990082HCID 22990082, compound

Sources & evidence

ORD record
ord-9e5f0238ffc8493cb5501aecd8502a37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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