Hydrochloric Acid → 7-Benzyl-3-chloro-4-(3,4-dimethoxyphenyl)-2-(nicotinoylaminomethyl)-5,6,7,8-tetrahydrothieno[2,3-b:5,4-c']dipyridine

HRID 1236638Notes

Reaction equation

HRID 1236638 reaction equation
[C:2]([c:3]1[cH:4][n:5][cH:6][cH:7][cH:8]1)(=[O:9])[Cl:10].[ClH:1].[NH2:11][CH2:12][c:13]1[c:14]([Cl:43])[c:15](-[c:33]2[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][cH:38]2)[c:16]2[c:17]([n:18]1)[s:19][c:20]1[c:25]2[CH2:24][CH2:23][N:22]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:21]1.[OH2:44].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[C:2]([c:3]1[cH:4][n:5][cH:6][cH:7][cH:8]1)(=[O:9])[NH:11][CH2:12][c:13]1[c:14]([Cl:43])[c:15](-[c:33]2[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][cH:38]2)[c:16]2[c:17]([n:18]1)[s:19][c:20]1[c:25]2[CH2:24][CH2:23][N:22]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:21]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 1049PyridineHCID 82604Nicotinoyl chlorideHCID 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 120436197-Benzyl-3-chloro-4-(3,4-dimethoxyphenyl)-2-(nicotinoylaminomethyl)-5,6,7,8-tetrahydrothieno[2,3-b:5,4-c']dipyridine

Sources & evidence

ORD record
ord-e38a52862b724a529a7b2121211b7ed5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…