HRID165732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：O=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID618233

1-Tritylimidazole-4-carboxaldehyde

C23H18N2O

HCID18520209

未命名化合物

结构：CC(C)C(O)(c1ccc2cc(OCF)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID18520210

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(O)(c1ccc2cc(OCF)ccc2c1)c1c[nH]cn1

HCID178450084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0580d92437f84e87ba27643ed2e2e98f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][cH:8][c:9]([O:10][CH2:11][F:12])[cH:13]2)[cH:14]1.[CH2:57]([Li:58])[CH2:59][CH2:60][CH3:61].[CH2:95]1[O:96][CH2:97][CH2:98][CH2:99]1.[CH3:89][CH2:90][CH2:91][CH2:92][CH2:93][CH3:94].[CH:62]([c:63]1[n:64][cH:65][n:66]([C:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86]1)=[O:87].[F:15][CH2:16][O:17][c:18]1[cH:19][c:20]2[cH:21][cH:22][c:23]([C:28]([CH:29]([CH3:30])[CH3:31])([OH:32])[c:33]3[n:34][cH:35][n:36]([C:38]([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:37]3)[cH:24][c:25]2[cH:26][cH:27]1.[OH2:88]>>[F:15][CH2:16][O:17][c:18]1[cH:19][c:20]2[cH:21][cH:22][c:23]([C:28]([CH:29]([CH3:30])[CH3:31])([OH:32])[c:33]3[n:34][cH:35][nH:36][cH:37]3)[cH:24][c:25]2[cH:26][cH:27]1