Ethanol → HCID 21890857, compound

HRID 2316729Notes

Reaction equation

HRID 2316729 reaction equation
[CH3:24][CH2:25][OH:26].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][n:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]12.[N+:27](=[O:28])([O-:29])[c:30]1[cH:31][cH:32][c:33]([C:36](=[O:37])[N:38]=[C:39]=[S:40])[cH:34][cH:35]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:5][C:39]([NH:38][C:36]([c:33]2[cH:32][cH:31][c:30]([N+:27](=[O:28])[O-:29])[cH:35][cH:34]2)=[O:37])=[S:40])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][n:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]12

Participants

5

Reactant 4

HCID 702EthanolHCID 1140TolueneHCID 1413984-Nitrobenzoyl isothiocyanateHCID 117390273-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]aniline

Product 1

HCID 21890857HCID 21890857, compound

Sources & evidence

ORD record
ord-9880891ea3f24687a653b6f2854a80df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…