4-Aminobenzonitrile → HCID 52948007, compound

HRID 669943Notes

Reaction equation

HRID 669943 reaction equation
[Cl:28][C:29]([Cl:30])([O:31][C:32]([O:33][C:34]([Cl:35])([Cl:36])[Cl:37])=[O:38])[Cl:39].[NH2:40][c:41]1[cH:42][cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48]1.[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:21]3[cH:22][cH:23][c:24]([NH2:25])[cH:26][cH:27]3)[n:10][c:11]([N:13]3[CH:14]4[CH2:15][O:16][CH2:17][CH:18]3[CH2:19][CH2:20]4)[n:12]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:21]3[cH:22][cH:23][c:24]([NH:25][C:32](=[O:38])[NH:40][c:41]4[cH:42][cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48]4)[cH:26][cH:27]3)[n:10][c:11]([N:13]3[CH:14]4[CH2:15][O:16][CH2:17][CH:18]3[CH2:19][CH2:20]4)[n:12]2)[CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 133964-AminobenzonitrileHCID 94429TriphosgeneHCID 670216444-[4-Morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]aniline

Product 1

HCID 52948007HCID 52948007, compound

Sources & evidence

ORD record
ord-a9a52cb5b6d84718bc2e308980da4a44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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