HRID87929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

HCID23087245

未命名化合物

结构：CCNc1cc(OC)ccc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

HCID57934095

未命名化合物

结构：COc1ccc(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(NCCCc2ccc(OCC(C)(C)N(C)C)cc2)c1

HCID66626509

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2CCc3cc(O)ccc3C2)c(NCCCc2ccc(OCC(C)(C)N(C)C)cc2)c1

HCID66627662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9f6e404d75948c1a8ebf039583e0b4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Al+3:89].[CH2:1]([NH:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[cH:8][cH:9][c:10]1[CH:11]1[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:17][C:18](=[O:19])[C:20]([CH3:21])([CH3:22])[CH3:23])[cH:24][cH:25][c:26]2[CH2:27]1)[CH3:28].[CH3:29][N:30]([CH3:31])[C:32]([CH3:33])([CH3:34])[CH2:35][O:36][c:37]1[cH:38][cH:39][c:40]([CH:41]=[O:42])[cH:43][cH:44]1.[CH3:45][N:46]([C:47]([CH2:48][O:49][c:50]1[cH:51][cH:52][c:53]([CH2:54][CH2:55][CH2:56][NH:57][c:58]2[c:59]([CH:66]3[CH2:67][c:68]4[cH:69][cH:70][c:71]([O:76][C:77](=[O:78])[C:79]([CH3:80])([CH3:81])[CH3:82])[cH:72][c:73]4[CH2:74][CH2:75]3)[cH:60][cH:61][c:62]([O:64][CH3:65])[cH:63]2)[cH:83][cH:84]1)([CH3:85])[CH3:86])[CH3:87].[H-:88].[H-:91].[H-:92].[H-:93].[Li+:90].[NH3:94].[O:95]1[CH2:96][CH2:97][CH2:98][CH2:99]1>>[CH3:45][N:46]([C:47]([CH2:48][O:49][c:50]1[cH:51][cH:52][c:53]([CH2:54][CH2:55][CH2:56][NH:57][c:58]2[c:59]([CH:66]3[CH2:67][c:68]4[cH:69][cH:70][c:71]([OH:76])[cH:72][c:73]4[CH2:74][CH2:75]3)[cH:60][cH:61][c:62]([O:64][CH3:65])[cH:63]2)[cH:83][cH:84]1)([CH3:85])[CH3:86])[CH3:87]