Ammonia → (r/s)-3-(Tert-butoxycarbonyl)amino-1-(1-amino-4-chloro-5-isoquinolinesulfonyl)-pyrrolidine

HRID 1133228Notes

Reaction equation

HRID 1133228 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[c:18]3[c:19]([Cl:28])[cH:20][n:21][c:22]([Cl:27])[c:23]3[cH:24][cH:25][cH:26]2)[CH2:12][CH2:13]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:36][N:37]1[CH2:38][CH2:39][N:40]([CH3:41])[C:42]1=[O:43].[K+:33].[K+:34].[NH3:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[c:18]3[c:19]([Cl:28])[cH:20][n:21][c:22]([NH2:35])[c:23]3[cH:24][cH:25][cH:26]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 222AmmoniaHCID 813Potassium Cation2×HCID 66611,3-Dimethyl-2-imidazolidinoneHCID 19660Carbonate IonHCID 87322862(r/s)-3-(Tert-butoxycarbonyl)amino-1-(1,4-dichloro-5-isoquinolinesulfonyl)pyrrolidine

Product 1

HCID 67243409(r/s)-3-(Tert-butoxycarbonyl)amino-1-(1-amino-4-chloro-5-isoquinolinesulfonyl)-pyrrolidine

Sources & evidence

ORD record
ord-44dd9d9f96264bb9ab45e4ab739876c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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