HRID1122386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID79304

Methanone, diphenyl-, hydrazone

C13H12N2

HCID105144

Palladium(2+)

Pd+2

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

HCID4574913

未命名化合物

HCID59557932

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NN=C(c2ccccc2)c2ccccc2)ccc1S(=O)(=O)NCCN1CCOCC1

HCID53630181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb93387eee0545fa839c7ad070955e43
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

[Br:1][c:2]1[cH:3][c:4]([CH3:20])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:6][cH:7]1.[C:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[N:34][NH2:35].[CH3:36][C:37]1([CH3:38])[c:39]2[cH:40][cH:41][cH:42][c:43]([P:44]([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:57]2[O:58][c:59]2[c:60]1[cH:61][cH:62][cH:63][c:64]2[P:65]([c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH3:78][C:79]([CH3:80])([O-:81])[CH3:82].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Na+:83].[O-:92][C:93]([CH3:94])=[O:95].[O-:96][C:97]([CH3:98])=[O:99].[Pd+2:91]>>[c:2]1([NH:35][N:34]=[C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:3][c:4]([CH3:20])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:6][cH:7]1