HRID1575365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)no2)cc1

HCID9975224

未命名化合物

PRODUCTS

生成物

结构：CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)On4nnc5ccccc54)cc3)no2)cc1

HCID10528273

1-[4-[5-(4-Pentyloxyphenyl)isoxazol-3-yl]benzoyloxy]-1H-1,2,3-benzotriazole

C27H24N4O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a1116b7d697462e839e6ad1e544b486
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:11]([CH2:12][CH2:13][CH2:14][CH3:15])[O:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[cH:24][c:25](-[c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]3)[n:26][o:27]2)[cH:21][cH:22]1.[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[Cl:50][CH2:51][Cl:52].[ClH:37].[OH2:49].[OH:1][n:2]1[n:3][n:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2>>[O:1]([n:2]1[n:3][n:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2)[C:32]([c:31]1[cH:30][cH:29][c:28](-[c:25]2[cH:24][c:23](-[c:20]3[cH:19][cH:18][c:17]([O:16][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[cH:22][cH:21]3)[o:27][n:26]2)[cH:36][cH:35]1)=[O:33]