HRID284954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID69828

Cyclopropanamine

C3H7N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCNC(=O)c1ccc(-n2cc(C(=O)O)nn2)c(OCC)c1

HCID68515614

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1ccc(-n2cc(C(=O)NC3CC3)nn2)c(OCC)c1

HCID57664951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba2200e5119a4e09825e3a587e80df51
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:37](=[O:38])([O-:39])[OH:40].[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[n:15]2[n:16][n:17][c:18]([C:20](=[O:21])[OH:22])[cH:19]2)[cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][CH2:13][CH3:14])[cH:9]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH:23]1([NH2:26])[CH2:24][CH2:25]1.[Na+:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[n:15]2[n:16][n:17][c:18]([C:20](=[O:22])[NH:26][CH:23]3[CH2:24][CH2:25]3)[cH:19]2)[cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][CH2:13][CH3:14])[cH:9]1