HRID1541459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：N#Cc1ccc2c(c1)cc(C(=O)NCC1(CO)CCCC1)n2Cc1cccc(OC(F)(F)F)c1

HCID24890015

未命名化合物

HCID45122079

Ethyl 1-(aminomethyl)cyclobutane-1-carboxylate

C8H15NO2

结构：N#Cc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(OC(F)(F)F)c1

HCID68543106

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(CNC(=O)c2cc3cc(C#N)ccc3n2Cc2cccc(OC(F)(F)F)c2)CCC1

HCID68551094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-317c2da46dc04d6280c6152180267ae9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:12](#[N:13])[c:14]1[cH:15][c:16]2[cH:17][c:18]([C:35](=[O:36])[OH:37])[n:19]([CH2:23][c:24]3[cH:25][c:26]([O:30][C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29]3)[c:20]2[cH:21][cH:22]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([CH2:10][NH2:11])[CH2:7][CH2:8][CH2:9]1.[OH:38][CH2:39][C:40]1([CH2:41][NH:42][C:43]([c:44]2[n:45]([CH2:46][c:47]3[cH:48][cH:49][cH:50][c:51]([O:52][C:53]([F:54])([F:55])[F:56])[cH:57]3)[c:58]3[c:59]([cH:60]2)[cH:61][c:62]([C:63]#[N:64])[cH:65][cH:66]3)=[O:67])[CH2:68][CH2:69][CH2:70][CH2:71]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([CH2:10][NH:11][C:35]([c:18]2[cH:17][c:16]3[cH:15][c:14]([C:12]#[N:13])[cH:22][cH:21][c:20]3[n:19]2[CH2:23][c:24]2[cH:25][c:26]([O:30][C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29]2)=[O:36])[CH2:7][CH2:8][CH2:9]1