Bicarbonate Ion → Benzyl 2-[[3-(1,3-benzothiazol-6-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

HRID 2126320

Reaction equation

HRID 2126320 reaction equation
[Br:34][c:35]1[cH:36][c:37]2[c:38]([n:39][cH:40][s:41]2)[cH:42][cH:43]1.[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.[CH3:49][OH:50].[Na+:55].[O-:51][C:52]([OH:53])=[O:54].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[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:35]3[cH:36][c:37]4[c:38]([n:39][cH:40][s:41]4)[cH:42][cH: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 27951716-Bromo-1,3-benzothiazoleHCID 69023528Benzyl 2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Product 1

HCID 69027057Benzyl 2-[[3-(1,3-benzothiazol-6-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-35777ba015fb4c9982e0b3ed5d3a14a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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