HRID173720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1

HCID3559

Haloperidol

C21H23ClFNO2

HCID7095

Biphenyl

C12H10

2 次

HCID7237

o-Xylene

C8H10

HCID8857

Ethyl acetate

C4H8O2

HCID70721

Dicyclopropylketone

C7H10O

结构：O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(-c2ccccc2)c1

HCID23364997

未命名化合物

结构：O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccccc1

HCID23365005

未命名化合物

PRODUCTS

生成物

HCID7095

Biphenyl

C12H10

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4f44a85008a44db960a1d74559e0541
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

[CH3:129][CH2:130][O:131][C:132](=[O:133])[CH3:134].[CH:63]1([C:64]([CH:65]2[CH2:66][CH2:67]2)=[O:68])[CH2:69][CH2:70]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]2([OH:7])[CH2:8][CH2:9][N:10]([CH2:11][CH2:12][CH2:13][C:14](=[O:15])[c:19]3[c:20](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:21][cH:22][cH:23][cH:24]3)[CH2:16][CH2:17]2)[cH:18][cH:31]1.[Cl:32][c:33]1[cH:34][cH:35][c:36]([C:37]2([OH:38])[CH2:39][CH2:40][N:41]([CH2:42][CH2:43][CH2:44][C:45]([c:46]3[cH:47][cH:48][cH:49][c:50](-[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:57]3)=[O:58])[CH2:59][CH2:60]2)[cH:61][cH:62]1.[OH:95][C:96]1([c:97]2[cH:98][cH:99][c:100]([Cl:101])[cH:102][cH:103]2)[CH2:104][CH2:105][N:106]([CH2:107][CH2:108][CH2:109][C:110]([c:111]2[cH:112][cH:113][c:114]([F:115])[cH:116][cH:117]2)=[O:118])[CH2:119][CH2:120]1.[c:121]1([CH3:122])[c:123]([CH3:124])[cH:125][cH:126][cH:127][cH:128]1.[c:71]1(-[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1(-[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[cH:19]1[c:20](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:21][cH:22][cH:23][cH:24]1