HRID135197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(F)nc1

HCID22261670

未命名化合物

HCID22262010

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(F)nc1)c1cccc2c1C=CCCC2

HCID22261988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-246abf2fb9014c85a91764ae6bb14ddb
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

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