HRID829086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28486

Lithium ion

Li+

结构：C=CCOC1CNC(C2OC(=O)NC2Cc2cc(F)cc(F)c2)C1

HCID178458772

未命名化合物

结构：NC(Cc1cc(F)cc(F)c1)C(O)C1COCCN1C(c1ccccc1)c1ccccc1

HCID178510840

未命名化合物

结构：O=C1NC(Cc2cc(F)cc(F)c2)C(C2COCCN2C(c2ccccc2)c2ccccc2)O1

HCID178517679

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(Cc2cc(F)cc(F)c2)C(C2CC(O)CN2C(c2ccccc2)c2ccccc2)O1

HCID178517678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-157ad6b1d58641e48162b78caf1952a1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:93][CH2:94][OH:95].[F:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]2[CH:11]([CH:12]3[CH2:13][CH:14]([O:15][CH2:16][CH:17]=[CH2:18])[CH2:19][NH:20]3)[O:21][C:22](=[O:23])[NH:24]2)[cH:5][c:6]([F:7])[cH:8]1.[F:57][c:58]1[cH:59][c:60]([CH2:61][CH:62]2[NH:63][C:64](=[O:86])[O:65][CH:66]2[CH:67]2[CH2:68][O:69][CH2:70][CH2:71][N:72]2[CH:73]([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:87][c:88]([F:90])[cH:89]1.[Li+:92].[NH2:25][CH:26]([CH2:27][c:28]1[cH:29][c:30]([F:31])[cH:32][c:33]([F:34])[cH:35]1)[CH:36]([CH:37]1[N:38]([CH:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[CH2:52][CH2:53][O:54][CH2:55]1)[OH:56].[OH-:91].[OH2:96]>>[F:57][c:58]1[cH:59][c:60]([CH2:61][CH:62]2[NH:63][C:64](=[O:86])[O:65][CH:66]2[CH:67]2[CH2:68][CH:70]([OH:69])[CH2:71][N:72]2[CH:73]([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:87][c:88]([F:90])[cH:89]1