HRID95345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1485

Benzenemethanamine, 2,4-dichloro-

C7H7Cl2N

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：CNc1nc(NC2CCC(C(=O)O)CC2)nc(N2CCN(C)CC2)n1

HCID67330775

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)nc(N2CCN(C)CC2)n1

HCID59242506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cc610d3d6e14108bbeed71c640cafe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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