HRID101078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78736

1H-Imidazole-1-propanamine

C6H11N3

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1

HCID18768041

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCCn1ccnc1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1

HCID18768063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f139a8d45ad4d4f9d7d108b1d96d100
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

[CH3:54][N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH3:64].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:65][CH2:66][Cl:67].[ClH:53].[NH2:25][CH2:26][CH2:27][CH2:28][n:29]1[cH:30][n:31][cH:32][cH:33]1.[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]([NH:15][c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[OH:24])[cH:20][cH:21]2)[n:11][cH:12][c:13]1[Cl:14].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]([NH:15][c:16]2[cH:17][cH:18][c:19]([C:22](=[O:24])[NH:25][CH2:26][CH2:27][CH2:28][n:29]3[cH:30][n:31][cH:32][cH:33]3)[cH:20][cH:21]2)[n:11][cH:12][c:13]1[Cl:14]