Hydrochloric Acid → 3-amino-6-(2-chloro-acetyl)-4-thiophen-2-yl-6,7-dihydro-5H-1-thia-6,8-diaza-s-indacene-2-carboxylic acid amide

HRID 2137952Notes

Reaction equation

HRID 2137952 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[Cl:32][CH2:33][C:34](=[O:35])[Cl:36].[ClH:1].[NH2:2][c:3]1[c:4]([C:20](=[O:21])[NH2:22])[s:5][c:6]2[n:7][c:8]3[c:12]([c:13](-[c:15]4[s:16][cH:17][cH:18][cH:19]4)[c:14]12)[CH2:11][NH:10][CH2:9]3.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[NH2:2][c:3]1[c:4]([C:20](=[O:21])[NH2:22])[s:5][c:6]2[n:7][c:8]3[c:12]([c:13](-[c:15]4[s:16][cH:17][cH:18][cH:19]4)[c:14]12)[CH2:11][N:10]([C:34]([CH2:33][Cl:32])=[O:35])[CH2:9]3

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6577Chloroacetyl chlorideHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 252056256-Amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide

Product 1

HCID 598548793-amino-6-(2-chloro-acetyl)-4-thiophen-2-yl-6,7-dihydro-5H-1-thia-6,8-diaza-s-indacene-2-carboxylic acid amide

Sources & evidence

ORD record
ord-9f3fa7e86d0d426f9c59f438c5f65808
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…