1-Butanol → N2-(2-amino-ethyl)-N4-(3,4-dimethoxy-phenyl)-N4-methyl-quinazoline-2,4-diamine

HRID 2142878Notes

Reaction equation

HRID 2142878 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][CH2:9][NH:10][c:11]1[n:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[c:19]([N:21]([CH3:22])[c:23]2[cH:24][c:25]([O:31][CH3:32])[c:26]([O:29][CH3:30])[cH:27][cH:28]2)[n:20]1)([CH3:5])([CH3:6])[CH3:33].[C:66]([O:67][C:68](=[O:69])[NH:70][CH2:71][CH2:72][NH2:73])([CH3:74])([CH3:75])[CH3:76].[CH2:57]([N:58]([CH:59]([CH3:60])[CH3:61])[CH:62]([CH3:63])[CH3:64])[CH3:65].[CH2:77]([OH:78])[CH2:79][CH2:80][CH3:81].[Cl:34][c:35]1[n:36][c:37]([N:38]([c:39]2[cH:40][cH:41][c:42]([O:43][CH3:44])[c:45]([O:46][CH3:47])[cH:48]2)[CH3:49])[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56]1>>[NH2:7][CH2:8][CH2:9][NH:10][c:11]1[n:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[c:19]([N:21]([CH3:22])[c:23]2[cH:24][c:25]([O:31][CH3:32])[c:26]([O:29][CH3:30])[cH:27][cH:28]2)[n:20]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 187201N-BOC-ethylenediamineHCID 11771849(2-Chloro-quinazolin-4-yl)-(3,4-dimethoxy-phenyl)-methyl-amineHCID 59237286(2-{4-[(3,4-Dimethoxy-phenyl)-methyl-amino]-quinazolin-2-ylamino}-ethyl)-carbamic acid tert-butyl ester

Product 1

HCID 59242094N2-(2-amino-ethyl)-N4-(3,4-dimethoxy-phenyl)-N4-methyl-quinazoline-2,4-diamine

Sources & evidence

ORD record
ord-9020f77d2d1f45a2b5a68ae1696e7142
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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