HRID287743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID105144

Palladium(2+)

Pd+2

HCID4060964

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccnc(N3CCC(O[Si](C)(C)C(C)(C)C)c4ccccc43)c2)c1C(=O)OC

HCID178496952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aae2b8f4a64141389a9a8cc72a1d2868
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[B-:30]([F:31])([F:32])([F:33])[F:34].[Br:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([C:26](=[O:27])[O:28][CH3:29])[c:10]([C:22](=[O:23])[O:24][CH3:25])[cH:11][c:12]3[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][c:17]23)[cH:7]1.[C:35]([PH+:36]([C:37]([CH3:38])([CH3:39])[CH3:40])[C:41]([CH3:42])([CH3:43])[CH3:44])([CH3:45])([CH3:46])[CH3:47].[C:48]([CH3:49])([CH3:50])([CH3:51])[Si:52]([O:53][CH:54]1[CH2:55][CH2:56][NH:57][c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]21)([CH3:64])[CH3:65].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH3:66][C:67]([CH3:68])([O-:69])[CH3:70].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[CH3:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[Cl-:72].[NH4+:73].[Na+:71].[OH2:89].[Pd+2:78]>>[c:2]1([N:57]2[CH2:56][CH2:55][CH:54]([O:53][Si:52]([C:48]([CH3:49])([CH3:50])[CH3:51])([CH3:64])[CH3:65])[c:63]3[c:58]2[cH:59][cH:60][cH:61][cH:62]3)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([C:26](=[O:27])[O:28][CH3:29])[c:10]([C:22](=[O:23])[O:24][CH3:25])[cH:11][c:12]3[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][c:17]23)[cH:7]1