Bicarbonate Ion → HCID 178495372, compound

HRID 2312656Notes

Reaction equation

HRID 2312656 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([CH2:26][N:27]([C:28]([c:29]2[cH:30][c:31]([O:37][CH2:38][CH2:39][CH2:40][O:41][CH3:42])[c:32]([O:35][CH3:36])[cH:33][cH:34]2)=[O:43])[CH:44]([CH3:45])[CH3:46])[CH:11]([CH2:13][N:14]([S:15](=[O:16])(=[O:17])[CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH3:25])[CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[Cl:59][CH2:60][Cl:61].[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53].[Na+:58].[O-:54][C:55]([OH:56])=[O:57]>>[NH:8]1[CH2:9][CH:10]([CH2:26][N:27]([C:28]([c:29]2[cH:30][c:31]([O:37][CH2:38][CH2:39][CH2:40][O:41][CH3:42])[c:32]([O:35][CH3:36])[cH:33][cH:34]2)=[O:43])[CH:44]([CH3:45])[CH3:46])[CH:11]([CH2:13][N:14]([S:15](=[O:16])(=[O:17])[CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH3:25])[CH2:12]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68643103Tert-butyl 3-[[benzylsulfonyl(methyl)amino]methyl]-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate

Product 1

HCID 178495372HCID 178495372, compound

Sources & evidence

ORD record
ord-ac74b5ac8b484813b362f7cc4f840e74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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