HRID2338141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

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

HCID6450806

Laniquidar

C37H36N4O3

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaeb87efa6624349968dd202d7361f92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[Na+:46].[OH-:45].[OH2:52].[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][CH3:44])[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])[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