Water → 7-Benzyl-3-chloro-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-2-(1,2,4-triazol-1-ylacetylaminomethyl)thieno[2,3-b:5,4-c']dipyridine

HRID 164080

Reaction equation

HRID 164080 reaction equation
[CH2:1]([N:2]=[C:3]=[N:4][CH2:5][CH2:6][CH2:7][N:8]([CH3:9])[CH3:10])[CH3:11].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[NH2:12][CH2:13][c:14]1[c:15]([Cl:44])[c:16](-[c:34]2[cH:35][c:36]([O:42][CH3:43])[c:37]([O:40][CH3:41])[cH:38][cH:39]2)[c:17]2[c:18]([n:19]1)[s:20][c:21]1[c:26]2[CH2:25][CH2:24][N:23]([CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:22]1.[OH2:59].[n:45]1([CH2:50][C:51](=[O:52])[OH:53])[n:46][cH:47][n:48][cH:49]1>>[NH:12]([CH2:13][c:14]1[c:15]([Cl:44])[c:16](-[c:34]2[cH:35][c:36]([O:42][CH3:43])[c:37]([O:40][CH3:41])[cH:38][cH:39]2)[c:17]2[c:18]([n:19]1)[s:20][c:21]1[c:26]2[CH2:25][CH2:24][N:23]([CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:22]1)[C:51]([CH2:50][n:45]1[n:46][cH:47][n:48][cH:49]1)=[O:52]

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 18101801,2,4-Triazole-1-acetic acidHCID 120436212-Aminomethyl-7-benzyl-3-chloro-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b:5,4-c']dipyridine

Product 1

HCID 541666527-Benzyl-3-chloro-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-2-(1,2,4-triazol-1-ylacetylaminomethyl)thieno[2,3-b:5,4-c']dipyridine

Sources & evidence

ORD record
ord-2f981607bd774066bca355959bfeafc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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