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

HRID 135608Notes

Reaction equation

HRID 135608 reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:23][CH2:24][CH2:25][CH2:26][Br:27].[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:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[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]([CH2:26][CH2:25][CH2:24][Cl:23])[CH2:9]3

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 80061-Bromo-3-chloropropaneHCID 8471TriethylamineHCID 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 252056263-Amino-6-(3-chloro-propyl)-4-thiophen-2-yl-6,7-dihydro-5H-1-thia-6,8-diaza-s-indacene-2-carboxylic acid amide

Sources & evidence

ORD record
ord-82c1760126734b10a5545f4bebb26743
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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