HRID178724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID6645

Methyl toluene-4-sulfonate

C8H10O3S

HCID7525

N-Ethylmorpholine

C6H13NO

HCID13401

3-Hydroxypicolinic acid

C6H5NO3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID84998

1-Cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide

C13H23N3O

HCID6452634

Glycine dodecyl ester

C14H29NO2

PRODUCTS

生成物

HCID9842011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98e4e45177a84f8cbdb74fd7cfa055e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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