HRID160604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID4247255

N-Boc-2-aminoacetaldehyde

C7H13NO3

结构：CC(C)(C)OC(=O)n1c(CNC2CCCc3cccnc32)nc2ccccc21

HCID21985081

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCN(Cc1nc2ccccc2n1C(=O)OC(C)(C)C)C1CCCc2cccnc21

HCID69295027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f79979f00e254234a3a9598aeaa751e1
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

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