HRID1214453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1CCCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(O)cccc32)C1

HCID21188576

未命名化合物

HCID21188829

tert-Butyl 3-(2-bromoethyl)piperidine-1-carboxylate

C12H22BrNO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(OCCC4CCCN(C(=O)OC(C)(C)C)C4)cccc32)C1

HCID10842515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8a58a5de880439c9b6bedf6f771ad3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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