HRID166494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID17817

Benzophenone, 3-amino-

C13H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

HCID625381

[4-(1-Adamantyl)phenoxy]acetic acid

C18H22O3

PRODUCTS

生成物

结构：O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)c2ccccc2)c1

HCID24811327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-633c411cab444bcea5aee972d0d73c30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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