Sodium ion → N-[2-[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]ethyl]thiophene-2-carboxamide

HRID 1135847Notes

Reaction equation

HRID 1135847 reaction equation
[CH2:44]([Cl:45])[Cl:46].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[NH2:1][CH2:2][CH2:3][CH:4]1[CH2:5][CH2:6][CH:7]2[N:8]([CH2:9][CH2:10][N:11]([c:13]3[n:14][o:15][c:16]4[c:17]3[cH:18][cH:19][cH:20][cH:21]4)[CH2:12]2)[CH2:22]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:47].[c:30]1([C:35](=[O:36])[Cl:37])[cH:31][cH:32][cH:33][s:34]1>>[NH:1]([CH2:2][CH2:3][CH:4]1[CH2:5][CH2:6][CH:7]2[N:8]([CH2:9][CH2:10][N:11]([c:13]3[n:14][o:15][c:16]4[c:17]3[cH:18][cH:19][cH:20][cH:21]4)[CH2:12]2)[CH2:22]1)[C:35]([c:30]1[cH:31][cH:32][cH:33][s:34]1)=[O:36]

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 789282-Thiophenecarbonyl chlorideHCID 196996632-[2-(1,2-Benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]ethanamine

Product 1

HCID 67703752N-[2-[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]ethyl]thiophene-2-carboxamide

Sources & evidence

ORD record
ord-a5f7a6a49541416a99c27e2a04311c1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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