3-Amino-1-propanol → 2-(3-Hydroxypropylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

HRID 688097

Reaction equation

HRID 688097 reaction equation
[NH2:37][CH2:38][CH2:39][CH2:40][OH:41].[O:1]([CH2:2][CH2:3][CH2:4][O:5][c:12]1[n:13][c:14]([O:31][CH2:32][C:33]([F:34])([F:35])[F:36])[c:15]([C:29]#[N:30])[c:16]([N:18]2[CH2:19][CH2:20][c:21]3[c:22]([cH:25][cH:26][cH:27][cH:28]3)[CH2:23][CH2:24]2)[n:17]1)[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[c:12]1([NH:37][CH2:38][CH2:39][CH2:40][OH:41])[n:13][c:14]([O:31][CH2:32][C:33]([F:34])([F:35])[F:36])[c:15]([C:29]#[N:30])[c:16]([N:18]2[CH2:19][CH2:20][c:21]3[c:22]([cH:25][cH:26][cH:27][cH:28]3)[CH2:23][CH2:24]2)[n:17]1

Participants

4

Reactant 3

HCID 90863-Amino-1-propanolHCID 312751,4-DioxaneHCID 220038782-(3-Phenoxypropoxy)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

Product 1

HCID 220039932-(3-Hydroxypropylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile

Sources & evidence

ORD record
ord-bf5126688fe441a4b9e57427b4068b4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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