Bicarbonate Ion → 6-cyano-2,2-dimethyl-4-{1,2-dihydro-2-oxo-4-(1-phenoxythiocarbonyloxy-2-ethoxycarbonylethyl)-1-pyridinyl}-2H-benzo[b]pyran

HRID 184792

Reaction equation

HRID 184792 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([cH:28][cH:29]1)[O:7][C:8]([CH3:26])([CH3:27])[CH:9]=[C:10]2[n:11]1[c:12](=[O:25])[cH:13][c:14]([CH:17]([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[OH:24])[cH:15][cH:16]1.[C:40](=[O:41])([O-:42])[OH:43].[CH3:45][C:46]#[N:47].[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[Na+:44].[O:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[C:37](=[S:38])[Cl:39]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([cH:28][cH:29]1)[O:7][C:8]([CH3:26])([CH3:27])[CH:9]=[C:10]2[n:11]1[c:12](=[O:25])[cH:13][c:14]([CH:17]([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[O:24][C:37]([O:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[S:38])[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 142844-(Dimethylamino)pyridineHCID 70498Phenyl thioxochloroformateHCID 190925286-cyano-2,2-dimethyl-4-{1,2-dihydro-2-oxo-4-(1-hydroxy-2-ethoxycarbonylethyl)-1-pyridinyl}-2H-benzo[b]pyran

Product 1

HCID 217469106-cyano-2,2-dimethyl-4-{1,2-dihydro-2-oxo-4-(1-phenoxythiocarbonyloxy-2-ethoxycarbonylethyl)-1-pyridinyl}-2H-benzo[b]pyran

Sources & evidence

ORD record
ord-9cb2db6944ca4d16aecb8213b9ef451a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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