Acetonitrile → 1-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}-3-[4-methoxyphenyl]thiourea

HRID 197252

Reaction equation

HRID 197252 reaction equation
[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([N:34]=[C:35]=[S:36])[cH:32][cH:33]1.[CH3:37][C:38]#[N:39].[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:35]([NH:34][c:31]1[cH:30][cH:29][c:28]([O:27][CH3:26])[cH:33][cH:32]1)=[S:36]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 752934-Methoxyphenyl isothiocyanateHCID 1006541311-amino-2-[2-(dimethylamino)ethyl]-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione

Product 1

HCID 167180411-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}-3-[4-methoxyphenyl]thiourea

Sources & evidence

ORD record
ord-1dad4c3187c34faba91b313cba99e56d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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