HRID110589

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

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID408285

2-Morpholinoethylamine

C6H14N2O

结构：CCCOc1ccc(F)c2c(=O)c(-c3ccc(O)cc3)cn(CC(=O)O)c12

HCID58492574

未命名化合物

PRODUCTS

生成物

结构：CCCOc1ccc(F)c2c(=O)c(-c3ccc(O)cc3)cn(CC(=O)NCCN3CCOCC3)c12

HCID67416437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f995d5088c74e2a9ec3ba7ef253f14b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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