Chloride → HCID 20399051, compound

HRID 2349589Notes

Reaction equation

HRID 2349589 reaction equation
[C:28](#[N:29])[c:30]1[c:31]([OH:43])[cH:32][cH:33][c:34]([CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[c:35]1[C:36]#[N:37].[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[C:6]12[CH2:7][CH2:8][C:9]([c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2.[Cl-:27].[ClH:44].[S:23]([Cl:24])([Cl:25])=[O:26].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[C:6]12[CH2:7][CH2:8][C:9]([c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][c:31]4[c:30]([C:28]#[N:29])[c:35]([C:36]#[N:37])[c:34]([CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[cH:33][cH:32]4)[cH:21][cH:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2

Participants

7

Reactant 6

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 1049PyridineHCID 24386Thionyl ChlorideHCID 129479444-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoic acidHCID 203990393-Hydroxy-6-pentylbenzene-1,2-dicarbonitrile

Product 1

HCID 20399051HCID 20399051, compound

Sources & evidence

ORD record
ord-2c31cf402d0f44a58b4285d49183e12e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…