Potassium Cation → Ethyl 4-(4-(4-methylphenylsulfonamido)-3-phenylbutanamido)benzoate

HRID 1141199Notes

Reaction equation

HRID 1141199 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[K+:5].[K+:6].[NH2:7][CH2:8][CH:9]([CH2:10][C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:23][cH:24]1)[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[OH2:48].[S:31](=[O:32])(=[O:33])([c:34]1[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]1)[Cl:41]>>[NH:7]([CH2:8][CH:9]([CH2:10][C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:23][cH:24]1)[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[S:31](=[O:32])(=[O:33])[c:34]1[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 73974-Toluenesulfonyl chlorideHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 67243563Ethyl 4-(4-amino-3-phenylbutanamido)benzoate

Product 1

HCID 24786212Ethyl 4-(4-(4-methylphenylsulfonamido)-3-phenylbutanamido)benzoate

Sources & evidence

ORD record
ord-dbcd1132ca2c4973aa12b7ec55bcf65c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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