Methanol → 4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid

HRID 95820Notes

Reaction equation

HRID 95820 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][OH:45].[Li+:47].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:19]3[cH:20][cH:21][c:22]([NH:25][C:26]([NH:27][c:28]4[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]4)=[O:38])[cH:23][cH:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:12]2)[CH2:5][CH2:6]1.[OH-:46].[OH2:48].[OH2:49]>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:19]3[cH:20][cH:21][c:22]([NH:25][C:26]([NH:27][c:28]4[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:36][cH:37]4)=[O:38])[cH:23][cH:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:12]2)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 44515696Methyl 4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoate

Product 1

HCID 445163074-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid

Sources & evidence

ORD record
ord-b96792549963455ea61b21305afe9988
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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