Sodium ion → HCID 16116077, compound

HRID 192551Notes

Reaction equation

HRID 192551 reaction equation
[CH3:14][O:15][C:16]([c:17]1[cH:18][cH:19][c:20]([O:23][CH2:24][CH2:25][c:26]2[c:27]([CH2:49][CH2:50][CH2:51][Br:52])[n:28]([CH:36]([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][c:34]23)[cH:21][cH:22]1)=[O:53].[H-:12].[Na+:13].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[c:1]1([CH2:7][S:8](=[O:9])(=[O:10])[NH2:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][S:8](=[O:9])(=[O:10])[NH:11][CH2:51][CH2:50][CH2:49][c:27]2[c:26]([CH2:25][CH2:24][O:23][c:20]3[cH:19][cH:18][c:17]([C:16]([O:15][CH3:14])=[O:53])[cH:22][cH:21]3)[c:34]3[c:29]([n:28]2[CH:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:30][cH:31][c:32]([Cl:35])[cH:33]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 78318BenzenemethanesulfonamideHCID 166653HydrideHCID 161165974-{2-[1-Benzhydryl-2-(3-bromo-propyl)-5-chloro-1H-indol-3-yl]-ethoxy}-benzoic acid methyl ester

Product 1

HCID 16116077HCID 16116077, compound

Sources & evidence

ORD record
ord-bda1dd3ff12047f9944cb77b94443735
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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