Hydrochloric Acid → Hydrochloric Acid

HRID 681632Notes

Reaction equation

HRID 681632 reaction equation
[B:43]([Br:44])([Br:45])[Br:46].[C:47](=[O:48])([OH:49])[O-:50].[CH2:52]([Cl:53])[Cl:54].[CH3:38][C:39](=[CH:40][CH3:41])[CH3:42].[ClH:37].[F:1][c:2]1[cH:3][c:4]2[c:17]([cH:18][cH:19]1)-[c:16]1[c:7]([c:8]3[cH:9][cH:10][c:11]([O:20][CH3:21])[cH:12][c:13]3[cH:14][cH:15]1)[CH:6]([c:22]1[cH:23][cH:24][c:25]([O:26][CH2:27][CH2:28][N:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[cH:35][cH:36]1)[S:5]2.[Na+:51]>>[ClH:37].[F:1][c:2]1[cH:3][c:4]2[c:17]([cH:18][cH:19]1)-[c:16]1[c:7]([c:8]3[cH:9][cH:10][c:11]([OH:20])[cH:12][c:13]3[cH:14][cH:15]1)[CH:6]([c:22]1[cH:23][cH:24][c:25]([O:26][CH2:27][CH2:28][N:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[cH:35][cH:36]1)[S:5]2

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 105532-Methyl-2-buteneHCID 25134Boron tribromideHCID 114548221-{2-[4-(8-Fluoro-2-methoxy-5H-6-thia-chrysen-5-yl)-phenoxy]-ethyl}-piperidine

Product 2

HCID 313Hydrochloric AcidHCID 670048238-fluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]thiochromen-2-ol

Sources & evidence

ORD record
ord-af93bd96ec7b4ef6a2cb722466fe9386
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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