HRID317807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID9990808

未命名化合物

HCID9991444

7,8-Dichloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C11H13Cl2N

HCID10082477

未命名化合物

PRODUCTS

生成物

HCID10465263

Lorcaserin A

C11H14ClN

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ff25e96f5e54f20a872a64c2a65fc72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:13]1)[CH:7]([CH3:12])[CH2:8][NH:9][CH2:10][CH2:11]2.[Br:74][c:75]1[cH:76][cH:77][c:78]2[c:86]([cH:87]1)[CH:83]([CH2:84][CH3:85])[CH2:82][NH:81][CH2:80][CH2:79]2.[Cl:102][c:103]1[c:104]([Cl:105])[cH:106][c:107]2[c:114]([cH:115]1)[CH2:113][CH2:112][NH:111][CH2:110][CH:108]2[CH3:109].[Cl:116][c:117]1[c:118]([F:119])[cH:120][c:121]2[c:128]([cH:129]1)[CH:126]([CH3:127])[CH2:125][NH:124][CH2:123][CH2:122]2.[Cl:130][c:131]1[c:132]([F:133])[cH:134][c:135]2[c:143]([cH:144]1)[CH:140]([CH2:141][CH3:142])[CH2:139][NH:138][CH2:137][CH2:136]2.[Cl:60][c:61]1[cH:62][cH:63][c:64]2[c:72]([cH:73]1)[CH:69]([CH2:70][CH3:71])[CH2:68][NH:67][CH2:66][CH2:65]2.[F:27][C:28]([F:29])([F:30])[c:31]1[cH:32][cH:33][c:34]2[c:41]([cH:42]1)[CH:39]([CH3:40])[CH2:38][NH:37][CH2:36][CH2:35]2.[F:43][C:44]([F:45])([F:46])[c:47]1[cH:48][cH:49][c:50]2[c:58]([cH:59]1)[CH:55]([CH2:56][CH3:57])[CH2:54][NH:53][CH2:52][CH2:51]2.[I:14][c:15]1[cH:16][cH:17][c:18]2[c:25]([cH:26]1)[CH:23]([CH3:24])[CH2:22][NH:21][CH2:20][CH2:19]2.[I:88][c:89]1[cH:90][cH:91][c:92]2[c:100]([cH:101]1)[CH:97]([CH2:98][CH3:99])[CH2:96][NH:95][CH2:94][CH2:93]2.[OH2:145]>>[c:2]1([Cl:60])[cH:3][cH:4][c:5]2[c:6]([cH:13]1)[CH:7]([CH3:12])[CH2:8][NH:9][CH2:10][CH2:11]2