Bicarbonate Ion → HCID 46940287, compound

HRID 1147597Notes

Reaction equation

HRID 1147597 reaction equation
[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[Cl:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12][cH:13]1.[Cl:46][C:47]([c:48]1[cH:49][cH:50][c:51]([C:52]([O-:53])=[O:54])[cH:55][cH:56]1)=[O:57].[Cl:63][CH2:64][Cl:65].[NH2:23][c:24]1[cH:25][c:26]([Cl:45])[c:27]([CH:30]([C:31]([C:32]([F:33])([F:34])[F:35])([OH:36])[c:37]2[cH:38][c:39]([Cl:43])[n:40][cH:41][cH:42]2)[CH3:44])[cH:28][cH:29]1.[Na+:62].[O-:58][C:59]([OH:60])=[O:61]>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12][cH:13]1)[NH:23][c:24]1[cH:25][c:26]([Cl:45])[c:27]([CH:30]([C:31]([C:32]([F:33])([F:34])[F:35])([OH:36])[c:37]2[cH:38][c:39]([Cl:43])[n:40][cH:41][cH:42]2)[CH3:44])[cH:28][cH:29]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 81850Methyl 4-(chlorocarbonyl)benzoateHCID 17979044HCID 17979044, compoundHCID 866291093-(4-Amino-2-chloro-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol

Product 1

HCID 46940287HCID 46940287, compound

Sources & evidence

ORD record
ord-a00deb0ce9d444e0a98871130aa8d2d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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