HRID105772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4122349

(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine

C6H13NO2

HCID53630186

未命名化合物

PRODUCTS

产物

HCID11534585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5a38f25e7169481da83d3e7741ab7158
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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