Ethanolamine → 4-(4-Chlorophenyl)-N-(2-hydroxyethyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide

HRID 2322883Notes

Reaction equation

HRID 2322883 reaction equation
[C:35]([Cl:36])(=[O:37])[C:38]([CH3:39])([CH3:40])[CH3:41].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:24][C:25](=[O:26])[OH:27])[c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[c:15]([CH3:19])[c:16]([CH3:18])[s:17]3)[cH:6][cH:7]1.[NH2:42][CH2:43][CH2:44][OH:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:51]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:24][C:25](=[O:27])[NH:42][CH2:43][CH2:44][OH:45])[c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[c:15]([CH3:19])[c:16]([CH3:18])[s:17]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 700EthanolamineHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 62493Pivaloyl chlorideHCID 197049212-[7-(4-Chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0,2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid

Product 1

HCID 197049744-(4-Chlorophenyl)-N-(2-hydroxyethyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide

Sources & evidence

ORD record
ord-a7f060b520644d1da7051adfbff53cd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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