HRID684466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：NC(Cc1ccccc1)C(O)CNCc1cccc(C(F)(F)F)c1

HCID21085619

未命名化合物

HCID68470583

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CCCC(CCC)N1CCc2c(C(=O)NC(Cc3ccccc3)C(O)CNCc3cccc(C(F)(F)F)c3)cccc2C1=O

HCID74428659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf2def3fa67b48a184d6a9773f88a931
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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