Hydrochloric Acid → Hydrochloric Acid

HRID 95283Notes

Reaction equation

HRID 95283 reaction equation
[C:3](=[O:4])([O-:5])[O-:6].[CH3:1][I:2].[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:56]([OH:57])([CH3:58])[CH3:59].[ClH:46].[Cs+:7].[Cs+:8].[F:9][c:10]1[cH:11][c:12]([CH2:13][CH:14]2[CH:15]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][CH2:25][CH2:26][N:27]([S:28](=[O:29])(=[O:30])[CH2:31][CH2:32][CH3:33])[CH3:34])[cH:22][c:23]32)[cH:43][cH:44][cH:45]1>>[ClH:46].[F:9][c:10]1[cH:11][c:12]([CH2:13][CH:14]2[CH:15]([NH2:35])[CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][CH2:25][CH2:26][N:27]([S:28](=[O:29])(=[O:30])[CH2:31][CH2:32][CH3:33])[CH3:34])[cH:22][c:23]32)[cH:43][cH:44][cH:45]1

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 6328Methyl iodideHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 68513853tert-butyl 1-(3-fluorobenzyl)-7-(3-(N-methylpropylsulfonamido)propyl)-1,2,3,4-tetrahydronaphthalen-2-ylcarbamate

Product 2

HCID 313Hydrochloric AcidHCID 57467324HCID 57467324, compound

Sources & evidence

ORD record
ord-dd9d863281c541d3a9ac84bf61d6221c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…