HRID158175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID417404

2-Dibenzofurancarboxylic acid

C13H8O3

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)c1ccc2oc3ccccc3c2c1

HCID59559637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ef41e0a07ad4ed68d8c46bbbd0e66f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53].[NH2:54][CH2:55][C:56](=[O:57])[N:58]1[CH2:59][CH2:60][N:61]([C:64]([c:65]2[c:66]([C:71]([F:72])([F:73])[F:74])[cH:67][cH:68][cH:69][cH:70]2)=[O:75])[CH2:62][CH2:63]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:81].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1.[cH:10]1[c:11]([C:23](=[O:24])[OH:25])[cH:12][cH:13][c:14]2[o:15][c:16]3[c:17]([c:18]12)[cH:19][cH:20][cH:21][cH:22]3>>[cH:10]1[c:11]([C:23](=[O:25])[NH:54][CH2:55][C:56](=[O:57])[N:58]2[CH2:59][CH2:60][N:61]([C:64]([c:65]3[c:66]([C:71]([F:72])([F:73])[F:74])[cH:67][cH:68][cH:69][cH:70]3)=[O:75])[CH2:62][CH2:63]2)[cH:12][cH:13][c:14]2[o:15][c:16]3[c:17]([c:18]12)[cH:19][cH:20][cH:21][cH:22]3