HRID115156

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

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID268472

未命名化合物

结构：CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(N)Cc2ccc(F)cc2)C(COC)C1

HCID21901625

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(Cc2ccc(F)cc2)NC(=O)C2CCCN2C(=O)OC(C)(C)C)C(COC)C1

HCID69587859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e9bd1088a2b4f3d92d8554404e67f37
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

[C:39](=[O:40])([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[N:46]1[CH:47]([C:48](=[O:49])[OH:50])[CH2:51][CH2:52][CH2:53]1.[CH3:64][N:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[ClH:38].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH:6]([CH2:27][O:28][CH3:29])[CH2:7][N:8]([CH:11]([C:12](=[O:13])[NH:14][CH3:15])[CH2:16][c:17]2[cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[cH:25][cH:26]2)[CH2:9][CH2:10]1)[CH2:30][c:31]1[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH:6]([CH2:27][O:28][CH3:29])[CH2:7][N:8]([CH:11]([C:12](=[O:13])[NH:14][CH3:15])[CH2:16][c:17]2[cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[cH:25][cH:26]2)[CH2:9][CH2:10]1)[CH2:30][c:31]1[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]1)[C:48]([CH:47]1[N:46]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:53][CH2:52][CH2:51]1)=[O:49]