Hydrochloric Acid → N4-{2-[(2-aminopyrimidin-4-yl)amino]ethyl}-8-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine

HRID 2147251Notes

Reaction equation

HRID 2147251 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][c:12]2[c:13]3[c:14]([n:15][c:16]([NH2:18])[n:17]2)[CH2:19][CH:20]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:21][CH2:22][CH2:23]3)(=[O:8])=[O:9])[cH:10][cH:11]1.[ClH:30].[ClH:31].[NH2:32][CH2:33][CH2:34][NH:35][c:36]1[n:37][c:38]([NH2:42])[n:39][cH:40][cH:41]1>>[c:12]12[c:13]([c:14]([NH:32][CH2:33][CH2:34][NH:35][c:36]3[n:37][c:38]([NH2:42])[n:39][cH:40][cH:41]3)[n:15][c:16]([NH2:18])[n:17]1)[CH2:23][CH2:22][CH2:21][CH:20]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:19]2

Participants

4

Reactant 3

HCID 313Hydrochloric Acid2×HCID 498566384-N-(2-aminoethyl)pyrimidine-2,4-diamineHCID 866381472-amino-8-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl 4-methylbenzenesulfonate

Product 1

HCID 44609257N4-{2-[(2-aminopyrimidin-4-yl)amino]ethyl}-8-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-8bd4af31281b47588a7af6ef1034d838
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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