HRID1125341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID9994008

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

C12H16INO

HCID10085262

未命名化合物

HCID10314616

未命名化合物

结构：COc1cc2c(cc1C(F)(F)C(F)(F)F)C(C)CNCC2

HCID10425425

未命名化合物

PRODUCTS

生成物

HCID9881885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01d519daaa5149cfa62d5283aa70975a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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