HRID212830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734386

4-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

结构：CC1(c2ccc3c(Br)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1

HCID67413120

未命名化合物

PRODUCTS

生成物

结构：CC1(c2ccc3c(-c4ccc(OC(F)(F)F)cc4)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1

HCID67412140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ddc0240e1194840837c6fc46e2c095d
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

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