HRID107450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：O=C(O)c1cnc2n1CCc1ccccc1C2=C1CCN(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CC1

HCID18612498

6,11-Dihydro-11-[1-[2-[4-(2-quinolinylmethoxy)phenyl]ethyl]-4-piperidinylidene]-5H-imidazo[2,1-b][3]benzazepine-3-carboxylic acid

C36H34N4O3

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)c1cnc2n1CCc1ccccc1C2=C1CCN(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CC1

HCID18612500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e1448a8d01b49ccaaa81b1f3d3d0e12
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

[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:64][N:65]([CH3:66])[c:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1.[Cl:73][CH2:74][Cl:75].[ClH:44].[c:56]1([CH2:62][OH:63])[cH:57][cH:58][cH:59][cH:60][cH:61]1.[n:1]1[c:2]([CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][C:24](=[C:27]4[c:28]5[n:29]([c:38]([C:41](=[O:42])[OH:43])[cH:39][n:40]5)[CH2:30][CH2:31][c:32]5[c:33]4[cH:34][cH:35][cH:36][cH:37]5)[CH2:25][CH2:26]3)[cH:17][cH:18]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[n:1]1[c:2]([CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][C:24](=[C:27]4[c:28]5[n:29]([c:38]([C:41](=[O:42])[O:43][CH2:62][c:56]6[cH:57][cH:58][cH:59][cH:60][cH:61]6)[cH:39][n:40]5)[CH2:30][CH2:31][c:32]5[c:33]4[cH:34][cH:35][cH:36][cH:37]5)[CH2:25][CH2:26]3)[cH:17][cH:18]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12