Bicarbonate Ion → HCID 58531490, compound

HRID 173639Notes

Reaction equation

HRID 173639 reaction equation
[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:13][c:14]1[c:15]([OH:54])[c:16]([S:21](=[O:22])(=[O:23])[N:24]([CH2:25][c:26]2[cH:27][c:28]([O:38][c:39]3[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]3)[cH:29][c:30]([CH2:32][NH:33][CH2:34][CH:35]([CH3:36])[CH3:37])[cH:31]2)[CH2:46][c:47]2[cH:48][cH:49][c:50]([F:53])[cH:51][cH:52]2)[cH:17][c:18]([Cl:20])[cH:19]1.[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[Cl:12])[cH:5][c:6]([Cl:8])[cH:7]1.[Cl:62][CH2:63][Cl:64].[Na+:69].[O-:65][C:66]([OH:67])=[O:68]>>[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[N:33]([CH2:32][c:30]2[cH:29][c:28]([O:38][c:39]3[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]3)[cH:27][c:26]([CH2:25][N:24]([S:21]([c:16]3[c:15]([OH:54])[c:14]([Cl:13])[cH:19][c:18]([Cl:20])[cH:17]3)(=[O:22])=[O:23])[CH2:46][c:47]3[cH:48][cH:49][c:50]([F:53])[cH:51][cH:52]3)[cH:31]2)[CH2:34][CH:35]([CH3:36])[CH3:37])[cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 5223883,5-Dichlorobenzenesulfonyl chlorideHCID 58531576HCID 58531576, compound

Product 1

HCID 58531490HCID 58531490, compound

Sources & evidence

ORD record
ord-1c7534eface843b09226a9cedc7aa407
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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