Acetonitrile → HCID 16718040, compound

HRID 185252Notes

Reaction equation

HRID 185252 reaction equation
[CH3:38][C:39]#[N:40].[CH:26]([CH3:27])([CH3:28])[c:29]1[cH:30][cH:31][c:32]([N:35]=[C:36]=[S:37])[cH:33][cH:34]1.[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]3[c:9]4[c:10]([cH:23][cH:24][cH:25]3)[C:11](=[O:22])[N:12]([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[C:13](=[O:16])[c:14]4[c:15]12>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]3[c:9]4[c:10]([cH:23][cH:24][cH:25]3)[C:11](=[O:22])[N:12]([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[C:13](=[O:16])[c:14]4[c:15]12)[C:36]([NH:35][c:32]1[cH:31][cH:30][c:29]([CH:26]([CH3:27])[CH3:28])[cH:34][cH:33]1)=[S:37]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 1451944-Isopropylphenyl isothiocyanateHCID 1006541311-amino-2-[2-(dimethylamino)ethyl]-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione

Product 1

HCID 16718040HCID 16718040, compound

Sources & evidence

ORD record
ord-5666dcc5004f43228bdaca23cc7e350b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…