HRID94744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81033

4-Benzyloxyphenylacetic acid

C15H14O3

HCID69653003

未命名化合物

HCID86598848

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1cccc2c1c(Cl)nn2CCN1CCCC1

HCID11670350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abf5f46fdd74434cb2df50953e341378
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

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