HRID2334039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

4 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID6486619

4-(2-Dimethylamino-ethoxy)-benzoic acid

C11H15NO3

结构：CCOc1cccc(Cn2ncc3c(N4CCNCC4)ncnc32)c1

HCID69298925

未命名化合物

PRODUCTS

生成物

结构：CCOc1cccc(Cn2ncc3c(N4CCN(C(=O)c5ccc(OCCN(C)C)cc5)CC4)ncnc32)c1

HCID9958620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cf06d8c9a2d4b3aa9c8439466b52955
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:19]([CH3:20])[O:21][c:22]1[cH:23][c:24]([CH2:25][n:26]2[n:27][cH:28][c:29]3[c:30]2[n:31][cH:32][n:33][c:34]3[N:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:41][cH:42][cH:43]1.[CH2:55]([N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64])[CH3:65].[CH2:82]([Cl:83])[Cl:84].[CH3:2][N:3]([CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]1)[CH3:16].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH:71]([Cl:72])([Cl:73])[Cl:74].[ClH:17].[ClH:18].[ClH:1].[ClH:54].[Na+:66].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1.[OH:67][C:68](=[O:69])[O-:70]>>[CH3:2][N:3]([CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([C:11](=[O:13])[N:38]2[CH2:37][CH2:36][N:35]([c:34]3[c:29]4[cH:28][n:27][n:26]([CH2:25][c:24]5[cH:23][c:22]([O:21][CH2:19][CH3:20])[cH:43][cH:42][cH:41]5)[c:30]4[n:31][cH:32][n:33]3)[CH2:40][CH2:39]2)[cH:14][cH:15]1)[CH3:16]