HRID2316746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

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(OCc2ccccc2)cc1

HCID22261439

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(OCc2ccccc2)cc1)c1cccc2c1C=CCCC2

HCID86593260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c6c3370cb3c4ee28badb11212b06ec8
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

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