HRID160470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID3744

1H-Indole-3-propanoic acid

C11H11NO2

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID6569

Methyl ethyl ketone

C4H8O

HCID2734060

未命名化合物

结构：CC(C(=O)NCC1CCC(c2ccccc2)(N(C)C)CC1)c1c[nH]c2ccccc12

HCID9980646

未命名化合物

HCID21082146

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID9980646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb4e84a288664824a25d8312e393c4a7
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

[CH3:19][O:20][c:21]1[n:22][c:23]([O:24][CH3:25])[n:26][c:27]([N+:28]2([CH3:29])[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[n:35]1.[CH3:50][N:51]([C:52]1([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[CH2:53][CH2:54][CH:55]([CH2:58][NH:59][C:60]([CH:61]([CH3:62])[c:63]2[cH:64][nH:65][c:66]3[cH:67][cH:68][cH:69][cH:70][c:71]23)=[O:72])[CH2:56][CH2:57]1)[CH3:79].[CH3:85][C:86](=[O:87])[CH2:88][CH3:89].[CH3:90][OH:91].[Cl-:18].[Cl:80][Si:81]([CH3:82])([CH3:83])[CH3:84].[NH2:1][CH2:2][CH:3]1[CH2:4][CH2:5][C:6]([N:7]([CH3:8])[CH3:9])([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH2:17]1.[nH:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[c:43]([CH2:44][CH2:45][C:46]([OH:47])=[O:48])[cH:49]1>>[CH3:50][N:51]([C:52]1([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[CH2:53][CH2:54][CH:55]([CH2:58][NH:59][C:60]([CH:61]([CH3:62])[c:63]2[cH:64][nH:65][c:66]3[cH:67][cH:68][cH:69][cH:70][c:71]23)=[O:72])[CH2:56][CH2:57]1)[CH3:79].[ClH:80]