HRID98127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：COc1cc(C=C2CCC3CC(O[Si](C)(C)C(C)(C)C)CC(c4ccc(F)cc4)N3C2=O)ccc1-n1cnc(C)c1

HCID178488491

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=C2CCC3CC(O)CC(c4ccc(F)cc4)N3C2=O)ccc1-n1cnc(C)c1

HCID178488483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe61876a77164d439737cb5f6723223a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:19]([Si:20]([CH3:21])([CH3:22])[O:24][CH:25]1[CH2:26][CH:27]([c:51]2[cH:52][cH:53][c:54]([F:57])[cH:55][cH:56]2)[N:28]2[C:29](=[O:50])[C:30](=[CH:35][c:36]3[cH:37][c:38]([O:48][CH3:49])[c:39](-[n:42]4[cH:43][n:44][c:45]([CH3:47])[cH:46]4)[cH:40][cH:41]3)[CH2:31][CH2:32][CH:33]2[CH2:34]1)([CH3:23])([CH3:58])[CH3:59].[CH2:2]([N+:3]([CH2:4][CH2:5][CH2:6][CH3:7])([CH2:8][CH2:9][CH2:10][CH3:11])[CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Cl-:60].[F-:1].[NH4+:61]>>[OH:24][CH:25]1[CH2:26][CH:27]([c:51]2[cH:52][cH:53][c:54]([F:57])[cH:55][cH:56]2)[N:28]2[C:29](=[O:50])[C:30](=[CH:35][c:36]3[cH:37][c:38]([O:48][CH3:49])[c:39](-[n:42]4[cH:43][n:44][c:45]([CH3:47])[cH:46]4)[cH:40][cH:41]3)[CH2:31][CH2:32][CH:33]2[CH2:34]1