Water → (+/-)-N-(4-pyridyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo-[4,3-a][1,4]diazepine-6-acetamide

HRID 1550455Notes

Reaction equation

HRID 1550455 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].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[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][c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:59]>>[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][c:43]3[cH:44][cH:45][n:46][cH:47][cH:48]3)[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 962WaterHCID 17274-AminopyridineHCID 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 19704993(+/-)-N-(4-pyridyl)-4-(4-chlorophenyl)-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-b3cbcbb089b14c7caafd880d2bcab592
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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