Dimethylamine → HCID 59563517, compound

HRID 89853Notes

Reaction equation

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

Participants

Reactant 6

HCID 674Dimethylamine

HCID 923Sodium ion

HCID 6228Dimethylformamide

HCID 8028Tetrahydrofuran

HCID 30165Iodide Ion

HCID 68430884Methyl 2-(3-(((3-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)propyl)(3-chloropropyl)amino)methyl)phenyl)acetate

Product 1

HCID 59563517HCID 59563517, compound

Sources & evidence

ORD record: ord-3d3a15a948704e3a83d4e3557ed5df07
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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