HRID1146353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)C1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID66583732

未命名化合物

结构：C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

HCID86664788

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(C)CC=C(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1

HCID66583831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a116474024b4430a4e73aca9f726764
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

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