HRID952097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID962

Water

H2O

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID24247

Perchloric acid

HClO4

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID268473

未命名化合物

HCID4640555

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)OCc1ccccc1)C(C)C

HCID178446791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-909dc0117f844be99a3cebc096c4ce25
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:2](=[O:3])([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])[NH:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[OH:17].[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][C:37]([CH:38]([NH2:39])[CH:40]([CH3:41])[CH3:42])=[O:43].[CH2:66]([N:67]=[C:68]=[N:69][CH2:70][CH2:71][CH2:72][N:73]([CH3:74])[CH3:75])[CH3:76].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cl+3:61]([OH:62])([O-:63])([O-:64])[O-:65].[Cl:90][CH2:91][Cl:92].[OH2:1].[OH2:93].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1.[OH:77][C:78]([CH2:79][C:80]([C:81](=[O:82])[OH:83])([CH2:84][C:85](=[O:86])[OH:87])[OH:88])=[O:89].[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28]1>>[C:2](=[O:3])([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])[NH:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:17])[NH:39][CH:38]([C:37]([O:36][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:43])[CH:40]([CH3:41])[CH3:42]