HRID2142878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

HCID11771849

(2-chloro-quinazolin-4-yl)-(3,4-dimethoxy-phenyl)-methyl-amine

C17H16ClN3O2

HCID59237286

未命名化合物

PRODUCTS

产物

HCID59242094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9020f77d2d1f45a2b5a68ae1696e7142
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[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