Bicarbonate Ion → Benzyl 1-[[2,5-difluoro-4-[[2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylate

HRID 113261Notes

Reaction equation

HRID 113261 reaction equation
[CH3:53][N:54]1[CH2:55][CH2:56][CH2:57][C:58]1=[O:59].[Na+:48].[O:7]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:15]1)[C:14](=[O:8])[NH:16][c:17]1[n:18][cH:19][cH:20][c:21]([O:23][c:24]2[cH:25][c:26]([F:47])[c:27]([NH:31][C:32](=[O:33])[C:34]3([C:37](=[O:38])[O:39][CH2:40][c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[CH2:35][CH2:36]3)[cH:28][c:29]2[F:30])[cH:22]1.[OH:1][CH:2]1[CH2:3][NH:4][CH2:5][CH2:6]1.[OH:49][C:50](=[O:51])[O-:52]>>[OH:1][CH:2]1[CH2:3][N:4]([C:14](=[O:7])[NH:16][c:17]2[n:18][cH:19][cH:20][c:21]([O:23][c:24]3[cH:25][c:26]([F:47])[c:27]([NH:31][C:32](=[O:33])[C:34]4([C:37](=[O:38])[O:39][CH2:40][c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[CH2:35][CH2:36]4)[cH:28][c:29]3[F:30])[cH:22]2)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 982104-HydroxypyrrolidineHCID 24788625Benzyl 1-({[4-([2-[(phenoxycarbonyl)amino]pyridin-4-yl}oxy)-2,5-difluorophenyl]amino}carbonyl)cyclopropanecarboxylate

Product 1

HCID 68501114Benzyl 1-[[2,5-difluoro-4-[[2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylate

Sources & evidence

ORD record
ord-ef211ad49d29488999b3e8f67785fd4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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