HRID1540634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

HCID3530992

3-Isocyanato-4-methoxybiphenyl

C14H11NO2

HCID59490552

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccccc2)cc1NC(=O)N1CCc2c(cnc3[nH]ncc23)C1

HCID59490699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db3192d168634cf394ef35f601bedd76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:54]([O:55][CH2:56][CH3:57])[CH3:58].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Cl:47][CH2:48][Cl:49].[Cl:50][CH:51]([Cl:52])[CH3:53].[F:1][C:2]([F:3])([F:4])[C:5]([O-:6])=[O:7].[N:30](=[C:31]=[O:32])[c:33]1[cH:34][c:35](-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:36][cH:37][c:38]1[O:39][CH3:40].[cH:8]1[n:9][nH:10][c:11]2[n:12][cH:13][c:14]3[c:19]([c:20]12)[CH2:18][CH2:17][NH2+:16][CH2:15]3>>[cH:8]1[n:9][nH:10][c:11]2[n:12][cH:13][c:14]3[c:19]([c:20]12)[CH2:18][CH2:17][N:16]([C:31]([NH:30][c:33]1[cH:34][c:35](-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:36][cH:37][c:38]1[O:39][CH3:40])=[O:32])[CH2:15]3