Acetonitrile → (3-methoxy-phenyl)-carbamic acid 3-{4-[N'-(3-methyl-benzylidene)-hydrazino]-6-morpholin-4-yl-pyrimidin-2-yl}-propyl ester

HRID 120247

Reaction equation

HRID 120247 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([CH:5]=[N:6][NH:7][c:8]2[n:9][c:10]([CH2:20][CH2:21][CH2:22][OH:23])[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:13]2)[cH:24][cH:25][cH:26]1.[CH3:27][O:28][c:29]1[cH:30][c:31]([N:35]=[C:36]=[O:37])[cH:32][cH:33][cH:34]1.[CH3:38][N:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][n:45]1)[CH3:46].[CH3:47][C:48]#[N:49]>>[CH3:1][c:2]1[cH:3][c:4]([CH:5]=[N:6][NH:7][c:8]2[n:9][c:10]([CH2:20][CH2:21][CH2:22][O:23][C:36]([NH:35][c:31]3[cH:30][c:29]([O:28][CH3:27])[cH:34][cH:33][cH:32]3)=[O:37])[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:13]2)[cH:24][cH:25][cH:26]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 218852-DimethylaminopyridineHCID 878433-Methoxyphenyl isocyanateHCID 668406793-{4-[N'-(3-methyl-benzylidene)-hydrazino]-6-morpholin-4-yl-pyrimidin-2-yl}-propan-1-ol

Product 1

HCID 66841255(3-methoxy-phenyl)-carbamic acid 3-{4-[N'-(3-methyl-benzylidene)-hydrazino]-6-morpholin-4-yl-pyrimidin-2-yl}-propyl ester

Sources & evidence

ORD record
ord-53e2c68fa7b2453ca1988a2e59f74736
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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