HRID2161950

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

HCID81531

Diisopropylethylamine

C8H19N

HCID764599

未命名化合物

结构：NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

HCID59559629

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(N2CCCCC2)cc1

HCID25166504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f20a6cabab8c416ea52a5aa9b924c801
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

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