HRID696000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6341

Ethanamine

C2H7N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1CCC(N(CC(=O)O)Cc2ccc(Cl)cc2)C1

HCID66758345

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)CN(Cc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)C1

HCID66758750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23cd0e381a6449b29169a104f8639efe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[CH2:22][C:23](=[O:24])[OH:25])[CH2:11][CH2:12]1.[CH2:54]([NH2:55])[CH3:56].[CH3:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH2:32][CH2:33][N:34]([CH3:35])[CH3:36].[CH3:47][N:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[CH2:22][C:23](=[O:25])[NH:28][CH2:27][CH3:26])[CH2:11][CH2:12]1