HRID316481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1001

Phenethylamine

C8H11N

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)O)n3)CC2C1

HCID178451515

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)NCCc4ccccc4)n3)CC2C1

HCID67265697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae010f7c536a43e49372da2bd3620822
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](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[cH:17][n:18][cH:19][c:20]([C:22](=[O:23])[OH:24])[n:21]1)[CH2:15]2.[CH2:25]([CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[NH2:33].[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH3:55][N:56]([c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1)[CH3:63].[Cl:64][CH2:65][Cl:66].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[cH:17][n:18][cH:19][c:20]([C:22](=[O:23])[NH:33][CH2:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:21]1)[CH2:15]2