HRID137598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID612

Lactic acid

C3H6O3

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：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)C(C)O)CC2)nc2c(N3CCOCC3C)nc(-c3cnc(N)nc3)nc21

HCID178448609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d72b631b4f414adca8aaaa7b402d9b1a
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:69](=[O:70])([O-:71])[OH:72].[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.[CH2:51]([N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60])[CH3:61].[CH2:78]([Cl:79])[Cl:80].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH:74]([Cl:75])([Cl:76])[Cl:77].[ClH:50].[Na+:73].[OH:34][CH:35]([C:36](=[O:37])[OH:38])[CH3:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]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:36]([CH:35]([OH:34])[CH3:39])=[O:37])[CH2:18][CH2:19]1