HRID933842

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

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID73561

1,2-Propanediol, 3-amino-

C3H9NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C(=O)O)c3)c(F)c2)ccn1

HCID53630186

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C(=O)NCC(O)CO)c3)c(F)c2)ccn1

HCID11692714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20b256144a0b4383b9c4392234e64452
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: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.[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:66][N:67]([CH3:68])[c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1.[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[Cl:80][CH2:81][Cl:82].[ClH:44].[NH2:38][CH2:39][CH:40]([CH2:41][OH:42])[OH:43].[OH2:83].[OH:56][n:57]1[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]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:33])[NH:38][CH2:39][CH:40]([CH2:41][OH:42])[OH:43])[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