Chloride → HCID 66706896, compound

HRID 2146659Notes

Reaction equation

HRID 2146659 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][c:23]2[c:24]([c:27]([S:32][CH2:33][c:34]3[n:35][cH:36][c:37]([Br:40])[cH:38][cH:39]3)[c:28]([Cl:31])[cH:29][cH:30]2)[CH2:25][CH2:26]1.[CH2:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[Mg+:7].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH3:8][CH2:9][O:10][CH2:11][CH3:12].[Cl-:1].[Cl-:52].[Cl-:54].[Zn+2:53]>>[CH2:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[c:37]1[cH:36][n:35][c:34]([CH2:33][S:32][c:27]2[c:24]3[c:23]([cH:30][cH:29][c:28]2[Cl:31])[CH2:22][CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:26][CH2:25]3)[cH:39][cH:38]1

Participants

8

Reactant 7

HCID 312Chloride3×HCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 32051Zinc(2+)HCID 576562493-tert-butoxycarbonyl-6-(5-bromopyridin-2-ylmethylthio)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 178445859HCID 178445859, compound

Product 1

HCID 66706896HCID 66706896, compound

Sources & evidence

ORD record
ord-b67e92878185469bb84cfc17678e7579
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…