Hydrochloric Acid → Ethyl [1-[3-[(10H-pyrazino[2,3-b][1,4]benzothiazin-8-yl)acetylamino]propyl]piperidin-4-yl]carboxylate

HRID 1151442Notes

Reaction equation

HRID 1151442 reaction equation
[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH3:56].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[ClH:19].[ClH:20].[NH2:21][CH2:22][CH2:23][CH2:24][N:25]1[CH2:26][CH2:27][CH:28]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:29][CH2:30]1.[OH2:57].[OH:36][n:37]1[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1.[n:1]1[cH:2][cH:3][n:4][c:5]2[c:10]1[NH:9][c:8]1[c:7]([cH:14][cH:13][c:12]([CH2:15][C:16](=[O:17])[OH:18])[cH:11]1)[S:6]2>>[n:1]1[cH:2][cH:3][n:4][c:5]2[c:10]1[NH:9][c:8]1[c:7]([cH:14][cH:13][c:12]([CH2:15][C:16](=[O:18])[NH:21][CH2:22][CH2:23][CH2:24][N:25]3[CH2:26][CH2:27][CH:28]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:29][CH2:30]3)[cH:11]1)[S:6]2

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 10822533Ethyl 1-(3-aminopropyl)piperidine-4-carboxylateHCID 1867013310H-Pyrazino[2,3-b][1,4]benzothiazine-8-acetic acid

Product 1

HCID 23564778Ethyl [1-[3-[(10H-pyrazino[2,3-b][1,4]benzothiazin-8-yl)acetylamino]propyl]piperidin-4-yl]carboxylate

Sources & evidence

ORD record
ord-75f8200fb4854f518dc51458d122e3aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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