HRID1137243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C=O)ccc1OC

HCID11699919

未命名化合物

HCID178477777

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)O)ccc1OC

HCID11599738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f61e85d242d84a0aa5122b060907bbff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br-:1].[CH3:2][Mg+:3].[Cl-:45].[F:4][C:5]([c:6]1[cH:7][c:8]([CH2:9][N:10]([C:11]([O:12][CH3:13])=[O:14])[CH2:15][c:16]2[c:17](-[c:26]3[c:27]([O:34][CH3:35])[cH:28][cH:29][c:30]([CH:32]=[O:33])[cH:31]3)[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1)([F:43])[F:44].[NH4+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[CH3:2][CH:32]([c:30]1[cH:29][cH:28][c:27]([O:34][CH3:35])[c:26](-[c:17]2[c:16]([CH2:15][N:10]([CH2:9][c:8]3[cH:7][c:6]([C:5]([F:4])([F:43])[F:44])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36]3)[C:11]([O:12][CH3:13])=[O:14])[cH:21][c:20]([C:22]([F:23])([F:24])[F:25])[cH:19][cH:18]2)[cH:31]1)[OH:33]