Bicarbonate Ion → Benzyl 2-[[3-[4-(cyclopropylcarbamoyl)-1,3-thiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

HRID 196129

Reaction equation

HRID 196129 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][c:18]2[cH:19][c:20]([B:24]3[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]3)[cH:21][cH:22][cH:23]2)=[O:33])[CH2:13][CH2:14][CH2:15]1.[CH3:56][OH:57].[CH:34]1([NH:37][C:38](=[O:39])[c:40]2[n:41][c:42]([Br:45])[s:43][cH:44]2)[CH2:35][CH2:36]1.[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][c:18]2[cH:19][c:20](-[c:42]3[n:41][c:40]([C:38]([NH:37][CH:34]4[CH2:35][CH2:36]4)=[O:39])[cH:44][s:43]3)[cH:21][cH:22][cH:23]2)=[O:33])[CH2:13][CH2:14][CH2:15]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 150095472-bromo-N-cyclopropyl-4-ThiazolecarboxamideHCID 69023528Benzyl 2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Product 1

HCID 69023221Benzyl 2-[[3-[4-(cyclopropylcarbamoyl)-1,3-thiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-93fbddfaf7134476ba61895f959f7e49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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