HRID313143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID2344366

未命名化合物

HCID2761404

tert-Butyl methyl(pyrrolidin-3-yl)carbamate

C10H20N2O2

PRODUCTS

生成物

结构：Cc1cc(NC(=O)NCCN2CCC(N(C)C(=O)OC(C)(C)C)C2)c2ccccc2n1

HCID59715909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c75a12e808c44ffb89e36a111aa462f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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