HRID173158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID441

3-Hydroxybutyric acid

C4H8O3

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)Cn1c(N2CCNCC2)nc2c(N3CCOCC3C)nc(-c3cnc(N)nc3)nc21

HCID178448605

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1c(N2CCN(C(=O)CC(C)O)CC2)nc2c(N3CCOCC3C)nc(-c3cnc(N)nc3)nc21

HCID178448607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee61037185814cbd90acc58d28e7ee43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:70](=[O:71])([O-:72])[OH:73].[C:81]([O:82][CH2:83][CH3:84])(=[O:85])[CH3:86].[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6]2[n:7][c:8](-[c:27]3[cH:28][n:29][c:30]([NH2:33])[n:31][cH:32]3)[n:9][c:10]([N:20]3[CH:21]([CH3:26])[CH2:22][O:23][CH2:24][CH2:25]3)[c:11]2[n:12][c:13]1[N:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1.[CH2:52]([N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61])[CH3:62].[CH2:91]([Cl:92])[Cl:93].[CH3:34][CH:35]([OH:36])[CH2:37][C:38]([OH:39])=[O:40].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:75][CH2:76][CH2:77][CH2:78][CH2:79][CH3:80].[CH:87]([Cl:88])([Cl:89])[Cl:90].[ClH:51].[Na+:74].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6]2[n:7][c:8](-[c:27]3[cH:28][n:29][c:30]([NH2:33])[n:31][cH:32]3)[n:9][c:10]([N:20]3[CH:21]([CH3:26])[CH2:22][O:23][CH2:24][CH2:25]3)[c:11]2[n:12][c:13]1[N:14]1[CH2:15][CH2:16][N:17]([C:38]([CH2:37][CH:35]([CH3:34])[OH:36])=[O:39])[CH2:18][CH2:19]1