HRID202238

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

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

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-9822d1cda5c941aa99784af711e5c41b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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