Sodium ion → N2-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-N4-ethyl-N4-methyl-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

HRID 202631Notes

Reaction equation

HRID 202631 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[Cl:1][c:2]1[n:3][c:4]2[c:9]([c:10]([N:12]([CH3:13])[CH2:14][CH3:15])[n:11]1)[CH2:8][CH2:7][CH2:6][CH:5]2[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[Cl:22][c:23]1[n:24][cH:25][n:26](-[c:28]2[c:29]([O:35][CH3:36])[cH:30][c:31]([NH2:32])[cH:33][cH:34]2)[cH:27]1.[H-:37].[Na+:38]>>[c:2]1([NH:32][c:31]2[cH:30][c:29]([O:35][CH3:36])[c:28](-[n:26]3[cH:25][n:24][c:23]([Cl:22])[cH:27]3)[cH:34][cH:33]2)[n:3][c:4]2[c:9]([c:10]([N:12]([CH3:13])[CH2:14][CH3:15])[n:11]1)[CH2:8][CH2:7][CH2:6][CH:5]2[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 580753532-chloro-N-ethyl-N-methyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-4-amineHCID 580757574-(4-chloro-1H-imidazol-1-yl)-3-methoxyaniline

Product 1

HCID 58075270N2-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-N4-ethyl-N4-methyl-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

Sources & evidence

ORD record
ord-d11585106c8046fbb90516aeb7e5a079
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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