HRID1116908

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

HCID68448

4-Fluoro-1-naphthoic acid

C11H7FO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccnc(F)c1

HCID22261630

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)c1ccnc(F)c1)c1ccc(F)c2ccccc12

HCID22261602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-744b081028a348fb988974d69c817076
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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].[CH3:63][C:64]#[N:65].[ClH:40].[F:26][c:27]1[cH:28][cH:29][c:30]([C:37](=[O:38])[OH:39])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12.[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:11])[n:8][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.[OH2:52].[OH2:66].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:11])[n:8][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:30]1[cH:29][cH:28][c:27]([F:26])[c:36]2[c:31]1[cH:32][cH:33][cH:34][cH:35]2)=[O:38]