HRID114373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID2918968

未命名化合物

HCID4574913

未命名化合物

结构：FC(F)(F)c1cc(C(F)(F)F)cc(C2(C(F)(F)F)CCNC2)c1

HCID53262186

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1CC1)c1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1

HCID53262057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb95e7f655e84b1988ce71541ca953c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11](=[O:12])[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[F:16][C:17]([c:18]1[cH:19][c:20]([C:28]2([C:33]([F:34])([F:35])[F:36])[CH2:29][NH:30][CH2:31][CH2:32]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:37])[F:38].[Na+:44].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[c:54]3[c:78]([cH:79][cH:80][cH:81]2)[C:75]([CH3:76])([CH3:77])[c:57]2[c:56]([c:61]([P:62]([c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:60][cH:59][cH:58]2)[O:55]3)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1([N:30]2[CH2:29][C:28]([c:20]3[cH:19][c:18]([C:17]([F:16])([F:37])[F:38])[cH:23][c:22]([C:24]([F:25])([F:26])[F:27])[cH:21]3)([C:33]([F:34])([F:35])[F:36])[CH2:32][CH2:31]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11](=[O:12])[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1