Benzene → HCID 86587884, compound

HRID 2328502Notes

Reaction equation

HRID 2328502 reaction equation
[C:29](=[O:30])([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[NH:36][CH2:37][CH2:38][N:39]=[C:40]=[S:41].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[CH2:13][NH:14][CH:15]1[CH:16]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[NH:17][CH2:18][CH2:19][CH2:20]1)[N:9]([CH3:27])[C:8](=[O:28])[CH2:7][CH2:6]2.[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[CH2:13][NH:14][CH:15]1[CH:16]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[N:17]([C:40]([NH:39][CH2:38][CH2:37][NH:36][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[S:41])[CH2:18][CH2:19][CH2:20]1)[N:9]([CH3:27])[C:8](=[O:28])[CH2:7][CH2:6]2

Participants

5

Reactant 4

HCID 241BenzeneHCID 3283Diethyl EtherHCID 4219896N-Boc-2-isothiocyanatoethylamineHCID 101997316-methoxy-1-methyl-7-[(2-phenyl-piperidin-3-yl-amino)-methyl]-3,4-dihydro-1H-quinolin-2-one

Product 1

HCID 86587884HCID 86587884, compound

Sources & evidence

ORD record
ord-a7feddaed2c74b89a9d2fdbd8ca90e4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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