HRID90431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID61277

Propane, 2-isocyanato-

C4H7NO

结构：CCCC(CO)Cc1cn(-c2ccc(C(C)C)cc2)c2cnc(-c3c(CC)cccc3CC)cc12

HCID67152539

未命名化合物

PRODUCTS

生成物

结构：CCCC(COC(=O)NC(C)C)Cc1cn(-c2ccc(C(C)C)cc2)c2cnc(-c3c(CC)cccc3CC)cc12

HCID59827628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18efc24754174b298091d9490550f518
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][c:13]3[c:14]([cH:15][n:16]2)[n:17](-[c:27]2[cH:28][cH:29][c:30]([CH:33]([CH3:34])[CH3:35])[cH:31][cH:32]2)[cH:18][c:19]3[CH2:20][CH:21]([CH2:22][OH:23])[CH2:24][CH2:25][CH3:26])[c:5]([CH2:9][CH3:10])[cH:6][cH:7][cH:8]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:52][N:53]([c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1)[CH3:60].[CH:43]([CH3:44])([CH3:45])[N:46]=[C:47]=[O:48].[Cl:49][CH2:50][Cl:51]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][c:13]3[c:14]([cH:15][n:16]2)[n:17](-[c:27]2[cH:28][cH:29][c:30]([CH:33]([CH3:34])[CH3:35])[cH:31][cH:32]2)[cH:18][c:19]3[CH2:20][CH:21]([CH2:22][O:23][C:47]([NH:46][CH:43]([CH3:44])[CH3:45])=[O:48])[CH2:24][CH2:25][CH3:26])[c:5]([CH2:9][CH3:10])[cH:6][cH:7][cH:8]1