HRID95985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

结构：CC(C)(C)OC(=O)c1ccc(Br)cc1NC(=O)c1cncc(-c2ccccc2)c1

HCID58508430

未命名化合物

HCID66990273

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)c1cccc(-c2ccc(C(=O)OC(C)(C)C)c(NC(=O)c3cncc(-c4ccccc4)c3)c2)c1

HCID66990777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f535914fdddb403dbc5c1f85442c46a0
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][c:4]([NH:15][C:16](=[O:17])[c:18]2[cH:19][n:20][cH:21][c:22](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:23]2)[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[CH2:36]([CH3:37])[N:38]([c:39]1[cH:40][c:41]([B:45]2[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]2)[cH:42][cH:43][cH:44]1)[CH2:54][CH3:55].[CH3:102][O:103][CH2:104][CH2:105][O:106][CH3:107].[CH:97]([Cl:98])([Cl:99])[Cl:100].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:101].[Pd:56]([Cl:57])[Cl:58].[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[c:2]1(-[c:41]2[cH:40][c:39]([N:38]([CH2:36][CH3:37])[CH2:54][CH3:55])[cH:44][cH:43][cH:42]2)[cH:3][c:4]([NH:15][C:16](=[O:17])[c:18]2[cH:19][n:20][cH:21][c:22](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:23]2)[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1