HRID2126648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID12251

Methoxyacetic acid

C3H6O3

HCID15908

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

C8H17N3

HCID73026

3-Hydroxy-1,2,3-benzotriazin-4(3H)-one

C7H5N3O2

结构：CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F

HCID11533581

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)N(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)OC

HCID11570587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bff58ccf04a04a3693cbab5c8694d499
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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