Potassium Cation → N-[Pyrrolidin-3-yl]-6-methyl-2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)thieno[3,2-d]pyrimidin-4-amine

HRID 311155Notes

Reaction equation

HRID 311155 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][CH:13]([NH:16][c:17]2[n:18][c:19]([N:27]3[CH2:28][CH2:29][S:30](=[O:38])[c:31]4[c:32]([cH:34][cH:35][cH:36][cH:37]4)[CH2:33]3)[n:20][c:21]3[c:22]2[s:23][c:24]([CH3:26])[cH:25]3)[CH2:14][CH2:15]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:41][OH:42].[K+:40].[OH-:39]>>[NH:11]1[CH2:12][CH:13]([NH:16][c:17]2[n:18][c:19]([N:27]3[CH2:28][CH2:29][S:30](=[O:38])[c:31]4[c:32]([cH:34][cH:35][cH:36][cH:37]4)[CH2:33]3)[n:20][c:21]3[c:22]2[s:23][c:24]([CH3:26])[cH:25]3)[CH2:14][CH2:15]1

Participants

5

Reactant 4

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 86680739Benzyl 3-{[2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylthienopyrimidin-4-yl]amino}-pyrrolidine-1-carboxylate

Product 1

HCID 71548934N-[Pyrrolidin-3-yl]-6-methyl-2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)thieno[3,2-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-d0ef3b6c64c848b1a9c12615e2dfba63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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