Hydrochloric Acid → 1-(tert-butoxycarbonyl)piperidin-4-yl 7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate

HRID 155239Notes

Reaction equation

HRID 155239 reaction equation
[CH3:27][N:28]1[CH2:29][CH2:30][N:31]([c:34]2[n:35][c:36]([NH2:50])[n:37][c:38](-[c:40]3[cH:41][cH:42][c:43]4[c:48]([cH:49]3)[CH2:47][NH:46][CH2:45][CH2:44]4)[cH:39]2)[CH2:32][CH2:33]1.[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:59][C:60]#[N:61].[ClH:51].[N+:1]([c:2]1[cH:3][cH:4][c:5]([O:6][C:9](=[O:10])[O:11][CH:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[cH:7][cH:8]1)([O-:25])=[O:26].[OH2:62]>>[C:9](=[O:10])([O:11][CH:12]1[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]1)[N:46]1[CH2:45][CH2:44][c:43]2[cH:42][cH:41][c:40](-[c:38]3[n:37][c:36]([NH2:50])[n:35][c:34]([N:31]4[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]4)[cH:39]3)[cH:49][c:48]2[CH2:47]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 23536851Tert-butyl 4-(((4-nitrophenoxy)carbonyl)oxy)piperidine-1-carboxylateHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 594965731-(tert-butoxycarbonyl)piperidin-4-yl 7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate

Sources & evidence

ORD record
ord-41d2254623a04fa8bf7944dfba2a1391
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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