HRID2336545

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

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1c(Cl)c(OCC(=O)O)nc2sc(C(=O)NC3CC3)c(N)c12

HCID68436813

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)c(OCC(=O)NCc2ccc(F)cc2)nc2sc(C(=O)NC3CC3)c(N)c12

HCID57664408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f959af66a339409987d7256aedb49ff3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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