HRID179402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3825

Ketoprofen

C16H14O3

HCID3386966

Imidazolate

C3H3N2-

结构：CN1CCN(Cc2cc(C(=O)OCCCCO)cc(Br)c2N)CC1

HCID20516246

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)OCCCCOC(=O)c1cc(Br)c(N)c(CN2CCN(C)CC2)c1)c1cccc(C(=O)c2ccccc2)c1

HCID20516486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8394d78b52843679a86684b3b4e560e
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

[C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)(=[O:37])[c:38]1[cH:39][c:40]([CH:44]([C:45](=[O:46])[OH:47])[CH3:48])[cH:41][cH:42][cH:43]1.[NH2:1][c:2]1[c:3]([Br:24])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][CH2:11][CH2:12][OH:13])[cH:14][c:15]1[CH2:16][N:17]1[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]1.[n-:25]1[cH:26][cH:27][n:28][cH:29]1>>[NH2:1][c:2]1[c:3]([Br:24])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][CH2:11][CH2:12][O:13][C:45]([CH:44]([c:40]2[cH:39][c:38]([C:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)=[O:37])[cH:43][cH:42][cH:41]2)[CH3:48])=[O:46])[cH:14][c:15]1[CH2:16][N:17]1[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]1