Bicarbonate Ion → 7-[(2-Chloro-pyridine-3-carbonyl)-amino]-4,4-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

HRID 1229043Notes

Reaction equation

HRID 1229043 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][c:20]2[cH:21][c:22]([NH2:30])[cH:23][cH:24][c:25]2[C:26]([CH3:28])([CH3:29])[CH2:27]1.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[cH:7][cH:8][cH:9][n:10]1.[Cl:36][CH2:37][Cl:38].[Na+:35].[O-:31][C:32]([OH:33])=[O:34]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:30][c:22]2[cH:21][c:20]3[c:25]([cH:24][cH:23]2)[C:26]([CH3:28])([CH3:29])[CH2:27][N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:19]3)[cH:7][cH:8][cH:9][n:10]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 27745412-Chloronicotinoyl chlorideHCID 21959561Tert-butyl 7-amino-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

Product 1

HCID 866032387-[(2-Chloro-pyridine-3-carbonyl)-amino]-4,4-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-eff3c7a7b41c4b58b7b068e615706f7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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