Hydrochloric Acid → HCID 86670394, compound

HRID 2334062Notes

Reaction equation

HRID 2334062 reaction equation
[Br:1][c:2]1[c:3]([S:7](=[O:8])(=[O:9])[Cl:10])[cH:4][s:5][cH:6]1.[C:42](=[O:43])([OH:44])[O-:45].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:47][CH2:48][Cl:49].[ClH:11].[ClH:12].[F:13][C:14]([C:15]([C:16]([F:17])([F:18])[F:19])([OH:20])[c:21]1[cH:22][cH:23][c:24]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:25][cH:26]1)([F:33])[F:34].[Na+:46]>>[Br:1][c:2]1[c:3]([S:7](=[O:8])(=[O:9])[N:30]2[CH2:29][CH2:28][N:27]([c:24]3[cH:23][cH:22][c:21]([C:15]([C:14]([F:13])([F:33])[F:34])([C:16]([F:17])([F:18])[F:19])[OH:20])[cH:26][cH:25]3)[CH2:32][CH2:31]2)[cH:4][s:5][cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 27946384-bromothiophene-3-sulfonyl ChlorideHCID 866237611,1,1,3,3,3-Hexafluoro-2-(4-(1-piperazinyl)phenyl)-2-propanol

Product 1

HCID 86670394HCID 86670394, compound

Sources & evidence

ORD record
ord-ed2fa87506dd41a99750d37be2809cb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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