HRID160334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID160435

Methanediimine

CH2N2

结构：COc1cc(-c2cc(CN3CCNCC3)ccn2)cc(OC)c1OC

HCID12021155

未命名化合物

HCID22558066

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cccc(C(=O)N3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC

HCID18546841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bca6225b09494aa0b2eb1d7dde98c830
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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