Bicarbonate Ion → 5-[(2-acetylamino-ethoxyamino)-methyl]-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide

HRID 1124474Notes

Reaction equation

HRID 1124474 reaction equation
[BH3:40].[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][CH2:6][O:7][N:8]=[CH:9][c:10]1[c:11]([F:33])[c:12]([F:32])[c:13]([NH:23][c:24]2[c:25]([F:31])[cH:26][c:27]([I:30])[cH:28][cH:29]2)[c:14]([C:15](=[O:16])[NH:17][O:18][CH2:19][CH2:20][OH:21])[cH:22]1.[C:47](=[O:48])([OH:49])[O-:50].[Cl:53][CH2:54][Cl:55].[Na+:51].[OH2:52].[OH:41][C:42]([CH:43]([Cl:44])[Cl:45])=[O:46].[n:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][CH2:6][O:7][NH:8][CH2:9][c:10]1[c:11]([F:33])[c:12]([F:32])[c:13]([NH:23][c:24]2[c:25]([F:31])[cH:26][c:27]([I:30])[cH:28][cH:29]2)[c:14]([C:15](=[O:16])[NH:17][O:18][CH2:19][CH2:20][OH:21])[cH:22]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1049PyridineHCID 6331BoraneHCID 6344DichloromethaneHCID 6597Dichloroacetic AcidHCID 74020018HCID 74020018, compound

Product 1

HCID 116571505-[(2-acetylamino-ethoxyamino)-methyl]-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide

Sources & evidence

ORD record
ord-58b0f8dfd1ac4c04a3e61792a4f7e7a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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