Ethanol → Ethyl 2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-(ethylthioureido)benzoate

HRID 957810Notes

Reaction equation

HRID 957810 reaction equation
[CH2:29]([CH3:30])[N:31]=[C:32]=[S:33].[CH3:34][CH2:35][OH:36].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[NH2:1][c:2]1[c:3]([NH:13][CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22]([C:27]#[N:28])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[cH:10][cH:11][cH:12]1>>[NH:1]([c:2]1[c:3]([NH:13][CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22]([C:27]#[N:28])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[cH:10][cH:11][cH:12]1)[C:32]([NH:31][CH2:29][CH3:30])=[S:33]

Participants

5

Reactant 4

HCID 702EthanolHCID 8857Ethyl AcetateHCID 10966Ethyl isothiocyanateHCID 15654655Ethyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate

Product 1

HCID 53943039Ethyl 2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-(ethylthioureido)benzoate

Sources & evidence

ORD record
ord-5a4a85fc4417459d8d43d95490d8d7c1
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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