HRID695156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID59703736

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(C(=O)O)C1

HCID178452405

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(C(=O)NCc2ccc(OC(F)F)c(F)c2)C1

HCID72362768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b55e45136b724a1a9d5d7e252ea6cac1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:28](=[O:29])[OH:30])[N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]2)[CH2:12][CH2:13]1.[CH2:43]([N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52])[CH3:53].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[ClH:42].[F:54][CH:55]([O:56][c:57]1[c:58]([F:65])[cH:59][c:60]([CH2:61][NH2:62])[cH:63][cH:64]1)[F:66].[OH2:31].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:28](=[O:29])[NH:62][CH2:61][c:60]2[cH:59][c:58]([F:65])[c:57]([O:56][CH:55]([F:54])[F:66])[cH:64][cH:63]2)[N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]2)[CH2:12][CH2:13]1