HRID116456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID239077

(4-Phenoxyphenyl)acetic acid

C14H12O3

HCID69652736

未命名化合物

HCID86598848

未命名化合物

PRODUCTS

生成物

结构：COC(CCn1ncc2ccc(NC(=O)Cc3ccc(Oc4ccccc4)cc3)cc21)OC

HCID22036559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1f08572bfcd472da674714b5aaa1596
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

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