HRID667017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID7408442

3-[1-(Triphenylmethyl)-1H-imidazol-4-yl]propanoic acid

C25H22N2O2

结构：O=C1OC(COc2ccon2)CN1c1ccc(N2CCNCC2)c(F)c1

HCID57110370

3-(3-Fluoro-4-piperazin-1-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C17H19FN4O4

PRODUCTS

生成物

结构：O=C(CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N1CCN(c2ccc(N3CC(COc4ccon4)OC3=O)cc2F)CC1

HCID57186108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-099033b7d41344e284374f25db7a25f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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