3-Amino-1,2-propanediol → 1-[(2,3-Dihydroxypropyl)amino]-4-(2-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile

HRID 2349315Notes

Reaction equation

HRID 2349315 reaction equation
[Cl:26][c:27]1[n:28][c:29]([C:46]#[N:47])[c:30](-[c:39]2[c:40]([F:45])[cH:41][cH:42][cH:43][cH:44]2)[c:31]2[cH:32][c:33]([O:37][CH3:38])[cH:34][cH:35][c:36]12.[F:1][c:2]1[cH:3][c:4](-[c:5]2[c:6]3[c:7]([cH:8][cH:9][c:10]([O:11][CH3:12])[cH:13]3)[c:14]([NH:15][CH2:16][CH2:17][OH:18])[n:19][c:20]2[C:21]#[N:22])[cH:23][cH:24][cH:25]1.[NH2:48][CH2:49][CH:50]([CH2:51][OH:52])[OH:53]>>[c:27]1([NH:48][CH2:49][CH:50]([CH2:51][OH:52])[OH:53])[n:28][c:29]([C:46]#[N:47])[c:30](-[c:39]2[c:40]([F:45])[cH:41][cH:42][cH:43][cH:44]2)[c:31]2[cH:32][c:33]([O:37][CH3:38])[cH:34][cH:35][c:36]12

Participants

4

Reactant 3

HCID 735613-Amino-1,2-propanediolHCID 113359631-Chloro-4-(2-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrileHCID 114391214-(3-Fluorophenyl)-1-[(2-hydroxyethyl)amino]-6-methoxyisoquinoline-3-carbonitrile

Product 1

HCID 113375841-[(2,3-Dihydroxypropyl)amino]-4-(2-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile

Sources & evidence

ORD record
ord-a7f4492295df42efb4844fe250741aeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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