HRID140726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14622584

未命名化合物

结构：Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2CCc1ccccc1

HCID22144670

未命名化合物

PRODUCTS

生成物

结构：O=C(CC1CC2CCC1C2)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2CCc1ccccc1

HCID22144667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43ad60cb503e460db5060acf328a45c6
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

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