Bicarbonate Ion → HCID 67334399, compound

HRID 694477Notes

Reaction equation

HRID 694477 reaction equation
[CH3:50][C:51]#[N:52].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:53][CH2:54][Cl:55].[NH2:6][C:7]([CH:8]([CH2:9][CH2:10][C:11](=[O:12])[O:13][CH3:14])[N:15]1[C:16](=[O:34])[c:17]2[cH:18][cH:19][cH:20][c:21]([O:24][CH2:25][c:26]3[cH:27][cH:28][c:29]([CH2:32][Br:33])[cH:30][cH:31]3)[c:22]2[CH2:23]1)=[O:35].[Na+:49].[O-:45][C:46]([OH:47])=[O:48].[nH:1]1[n:2][n:3][cH:4][cH:5]1>>[n:1]1[n:2]([CH2:32][c:29]2[cH:28][cH:27][c:26]([CH2:25][O:24][c:21]3[cH:20][cH:19][cH:18][c:17]4[c:22]3[CH2:23][N:15]([CH:8]([C:7]([NH2:6])=[O:35])[CH2:9][CH2:10][C:11](=[O:12])[O:13][CH3:14])[C:16]4=[O:34])[cH:31][cH:30]2)[n:3][cH:4][cH:5]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 58388934Gamma-(aminocarbonyl)-4-[[4-(bromomethyl)phenyl]methoxy]-1,3-dihydro-1-oxo-2h-isoindole-2-butanoic acid methyl esterHCID 178418936HCID 178418936, compound

Product 1

HCID 67334399HCID 67334399, compound

Sources & evidence

ORD record
ord-0f9576fc1b7d4669966aef8fdbc6565d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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