Potassium Cation → 1-(3-Chloro-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)-2,2-dimethyl-propan-1-one

HRID 203490Notes

Reaction equation

HRID 203490 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([Cl:24])[c:16]([C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[s:17]2)[CH2:13][CH2:14]1.[CH3:45][OH:46].[Cl:31][C:32]([O:33][CH:34]([Cl:35])[CH3:36])=[O:37].[Cl:38][CH:39]([Cl:40])[CH3:41].[Cl:42][CH2:43][Cl:44].[K+:25].[K+:26].[O-:27][C:28]([O-:29])=[O:30]>>[NH:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([Cl:24])[c:16]([C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[s:17]2)[CH2:13][CH2:14]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 887MethanolHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 19660Carbonate IonHCID 5213051-Chloroethyl chloroformateHCID 66934181HCID 66934181, compound

Product 1

HCID 247833691-(3-Chloro-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)-2,2-dimethyl-propan-1-one

Sources & evidence

ORD record
ord-49de257f34a745788dd28440ccaf1dd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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