HRID1237203

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

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID26856

5-Amino-2,3-dihydro-1,3-benzoxazol-2-one

C7H6N2O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

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

HCID57875811

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccc2oc(=O)[nH]c2c1

HCID44231327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f515b1d5428046c78e136d1cc796f70f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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