HRID1234066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID2724942

未命名化合物

2 次

结构：COc1ccc2cc(-c3ccnc(N(C)C)n3)cc(N)c2c1

HCID67306103

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2cc(-c3ccnc(N(C)C)n3)cc(NC3CCN(C(=O)OC(C)(C)C)CC3)c2c1

HCID67305284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-248c34ebbd944d0a99baaae435d145f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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