Sodium ion → 5-Chloro-3-(2-chlorophenyl)-1,3-dihydro-1-[4-(1,1-dimethylpropyl)benzenesulfonyl]-3-[[2-(morpholin-4-yl)ethyl]amino]indol-2-one

HRID 1559794Notes

Reaction equation

HRID 1559794 reaction equation
[CH3:30][C:31]([CH2:32][CH3:33])([CH3:34])[c:35]1[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:39][cH:40]1.[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2([NH:12][CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)[c:21]1[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]1.[H-:28].[Na+:29].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45]>>[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([S:41]([c:38]1[cH:37][cH:36][c:35]([C:31]([CH3:30])([CH2:32][CH3:33])[CH3:34])[cH:40][cH:39]1)(=[O:42])=[O:43])[C:6](=[O:11])[C:5]2([NH:12][CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)[c:21]1[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 19076509HCID 19076509, compoundHCID 222819764-(2-Methylbutan-2-yl)benzene-1-sulfonyl chloride

Product 1

HCID 190764845-Chloro-3-(2-chlorophenyl)-1,3-dihydro-1-[4-(1,1-dimethylpropyl)benzenesulfonyl]-3-[[2-(morpholin-4-yl)ethyl]amino]indol-2-one

Sources & evidence

ORD record
ord-8f2b77d8016a405fb3cd9386e95d3684
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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