1,3-Propanediamine → N-[6-Methyl-2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)thieno[3,2-d]pyrimidin-4-yl]propane-1,3-diamine

HRID 201559Notes

Reaction equation

HRID 201559 reaction equation
[CH2:24]([CH2:25][CH2:26][NH2:27])[NH2:28].[O:1]=[S:2]1[CH2:3][CH2:4][N:5]([c:13]2[nH:14][c:15](=[O:23])[c:16]3[c:17]([n:18]2)[cH:19][c:20]([CH3:22])[s:21]3)[CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2>>[O:1]=[S:2]1[CH2:3][CH2:4][N:5]([c:13]2[n:14][c:15]([NH:27][CH2:26][CH2:25][CH2:24][NH2:28])[c:16]3[c:17]([n:18]2)[cH:19][c:20]([CH3:22])[s:21]3)[CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2

Participants

3

Reactant 2

HCID 4281,3-PropanediamineHCID 1363597882-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylthieno[3,2-d]pyrimidin-4(3H)-one

Product 1

HCID 71548788N-[6-Methyl-2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)thieno[3,2-d]pyrimidin-4-yl]propane-1,3-diamine

Sources & evidence

ORD record
ord-fb478177d1434c5891cba0e100ec4aa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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