Hydrochloric Acid → Hydrochloric Acid

HRID 85887Notes

Reaction equation

HRID 85887 reaction equation
[Br:34][CH2:35][CH2:36][CH2:37][CH2:38][Br:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:48][C:49]#[N:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[ClH:1].[NH2:2][CH:3]1[CH2:4][CH2:5][c:6]2[cH:7][cH:8][c:9]([O:20][CH2:21][CH2:22][N:23]([S:24](=[O:25])(=[O:26])[c:27]3[n:28][cH:29][n:30]([CH3:32])[cH:31]3)[CH3:33])[cH:10][c:11]2[CH:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[OH2:47]>>[ClH:1].[N:2]1([CH:3]2[CH2:4][CH2:5][c:6]3[cH:7][cH:8][c:9]([O:20][CH2:21][CH2:22][N:23]([S:24](=[O:25])(=[O:26])[c:27]4[n:28][cH:29][n:30]([CH3:32])[cH:31]4)[CH3:33])[cH:10][c:11]3[CH:12]2[CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:35][CH2:36][CH2:37][CH2:38]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 80561,4-DibromobutaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 59547775N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylimidazole-4-sulfonamide

Product 2

HCID 313Hydrochloric AcidHCID 59547762N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylimidazole-4-sulfonamide

Sources & evidence

ORD record
ord-82889401197547038c7d0857e85d5f5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…