HRID91942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID7046

1,2,3,4-Tetrahydroisoquinoline

C9H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

HCID333429

STK367969

C16H20N2O4

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1

HCID69900649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb8fe2de97974f7aa2cad7bb698af011
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

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