HRID313470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8471

Triethylamine

C6H15N

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

HCID11738112

(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)-methylamine

C16H14ClN3O

结构：COc1ccc(N(C)c2nc(NCCNC(=O)OC(C)(C)C)nc3ccccc23)cc1

HCID59237304

未命名化合物

PRODUCTS

生成物

HCID59242058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e27c3bfcb7634219bd17ec110a647e9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[n:20]1)([CH3:5])([CH3:6])[CH3:31].[C:53]([O:54][C:55](=[O:56])[NH:57][CH2:58][CH2:59][NH2:60])([CH3:61])([CH3:62])[CH3:63].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:78][OH:79].[CH:71]([OH:72])([CH3:73])[CH3:74].[Cl:32][c:33]1[n:34][c:35]([N:36]([c:37]2[cH:38][cH:39][c:40]([O:41][CH3:42])[cH:43][cH:44]2)[CH3:45])[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52]1.[Cl:75][CH2:76][Cl:77].[Cl:80][CH2:81][Cl:82]>>[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][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[n:20]1