HRID1219121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2ccc3c(c2)C(=O)c2cc(B4OC(C)(C)C(C)(C)O4)ccc2-3)OC1(C)C

HCID59264515

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)CCc2cc(-c4cnc(C5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)[nH]1

HCID66621210

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)C(=O)c2cc(-c4cnc(C5CCCN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)[nH]1

HCID66621326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d5c37faae7f4b73bc8a10ee28e378a2
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][c:20]4[c:29]([cH:30][cH:31]3)-[c:28]3[c:23]([cH:24][c:25](-[c:32]5[nH:33][c:34]([CH:37]6[N:38]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:39][CH2:40][CH2:41]6)[n:35][cH:36]5)[cH:26][cH:27]3)[CH2:22][CH2:21]4)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1.[CH3:49][C:50]1([CH3:52])[O:51][B:57]([c:58]2[cH:59][cH:60][c:61]3[c:79]([cH:80]2)[C:77](=[O:78])[c:63]2[c:62]-3[cH:76][cH:75][c:65]([B:66]3[O:67][C:68]([CH3:69])([CH3:70])[C:71]([CH3:72])([CH3:73])[O:74]3)[cH:64]2)[O:56][C:53]1([CH3:54])[CH3:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][cH:20][c:29]4[c:30]([cH:31]3)[C:22](=[O:51])[c:23]3[cH:24][c:25](-[c:32]5[nH:33][c:34]([CH:37]6[N:38]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:39][CH2:40][CH2:41]6)[n:35][cH:36]5)[cH:26][cH:27][c:28]3-4)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1