HRID2157006

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-

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID7915

Isopropyl acetate

C5H10O2

HCID8028

Tetrahydrofuran

C4H8O

HCID14487

Diisobutylaluminum hydride

C8H19Al

HCID688342

4-Bromobenzaldehyde dimethyl acetal

C9H11BrO2

HCID5462224

Magnesium

HCID67546405

未命名化合物

HCID67546884

5-(2-Chlorophenyl)-2-(oxan-2-yl)-2H-tetrazole

C12H13ClN4O

HCID178499442

未命名化合物

PRODUCTS

生成物

结构：COC(OC)c1ccc(-c2ccccc2-c2nnn(C3CCCCO3)n2)cc1

HCID68626994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a7dba824cc845ecae15ddaffb1d64e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br-:23].[Br:11][c:12]1[cH:13][cH:14][c:15]([CH:18]([O:19][CH3:20])[O:21][CH3:22])[cH:16][cH:17]1.[C:74]([O:75][CH:76]([CH3:77])[CH3:78])(=[O:79])[CH3:80].[CH3:24][O:25][CH:26]([O:27][CH3:28])[c:29]1[cH:30][cH:31][c:32]([Mg+:33])[cH:34][cH:35]1.[CH3:2][CH:3]([CH2:4][AlH:5][CH2:6][CH:7]([CH3:8])[CH3:9])[CH3:10].[CH3:72][OH:73].[Cl-:81].[Cl:36][c:37]1[c:38](-[c:43]2[n:44][n:45][n:46]([CH:48]3[O:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[n:47]2)[cH:39][cH:40][cH:41][cH:42]1.[Cl:54][c:55]1[cH:56][cH:57][cH:58][cH:59][c:60]1-[c:61]1[n:62]([CH:63]2[CH2:64][CH2:65][CH2:66][CH2:67][O:68]2)[n:69][n:70][n:71]1.[Mg:1].[NH4+:82].[O:83]1[CH2:84][CH2:85][CH2:86][CH2:87]1.[OH2:88]>>[c:12]1(-[c:37]2[c:38](-[c:43]3[n:44][n:45][n:46]([CH:48]4[O:49][CH2:50][CH2:51][CH2:52][CH2:53]4)[n:47]3)[cH:39][cH:40][cH:41][cH:42]2)[cH:13][cH:14][c:15]([CH:18]([O:19][CH3:20])[O:21][CH3:22])[cH:16][cH:17]1