HRID1125430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736707

Isoxazole-5-carbonyl chloride

C4H2ClNO2

HCID59511403

未命名化合物

HCID59513880

未命名化合物

PRODUCTS

产物

HCID59513682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-303c0ff83e804275a8b723d46ea77a7b
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

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