Sodium ion → HCID 136346629, compound

HRID 114271Notes

Reaction equation

HRID 114271 reaction equation
[B:33]([Br:34])([Br:35])[Br:36].[C:38](=[O:39])([O-:40])[O-:41].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[c:10]([C:29]([F:30])([F:31])[F:32])[cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]3[n:19][s:20][c:21]4[c:22]3[cH:23][cH:24][c:25]([O:27][CH3:28])[cH:26]4)[cH:13][cH:14]2)[CH2:6][CH2:7]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:44][CH2:45][Cl:46].[Na+:42].[Na+:43].[OH2:37]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[c:10]([C:29]([F:30])([F:31])[F:32])[cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]3[n:19][s:20][c:21]4[c:22]3[cH:23][cH:24][c:25]([OH:27])[cH:26]4)[cH:13][cH:14]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 25134Boron tribromideHCID 669928876-Methoxy-benzo[d]isothiazole-3-carboxylic acid [4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-amide

Product 1

HCID 136346629HCID 136346629, compound

Sources & evidence

ORD record
ord-021774767dfc45d3b339adf008db3e38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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