HRID2129236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID135

4-Hydroxybenzoic acid

C7H6O3

HCID313

Hydrochloric Acid

ClH

3 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

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(O)cc5)CC4)ncnc32)c1

HCID69300084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7aac4713d05f484a974280adcf7e4b71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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