HRID690292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57941621

未命名化合物

结构：CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441712

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(Cl)c(C(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f122578cba354b0a988d8720f7bd815d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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