Acetonitrile → HCID 16718149, compound

HRID 109383Notes

Reaction equation

HRID 109383 reaction equation
[CH3:40][C:41]#[N:42].[F:26][C:27]([O:28][c:29]1[c:30]([N:35]=[C:36]=[S:37])[cH:31][cH:32][cH:33][cH:34]1)([F:38])[F: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:36]([NH:35][c:30]1[c:29]([O:28][C:27]([F:26])([F:38])[F:39])[cH:34][cH:33][cH:32][cH:31]1)=[S:37]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 27773362-(Trifluoromethoxy)phenyl isothiocyanateHCID 1006541311-amino-2-[2-(dimethylamino)ethyl]-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione

Product 1

HCID 16718149HCID 16718149, compound

Sources & evidence

ORD record
ord-d16cc16ca0c748928a69a2052397d059
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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