HRID215025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

9 次

HCID8071

未命名化合物

HCID104810

Barium (II) ion

Ba+2

HCID15366413

未命名化合物

HCID22237855

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(-c2ccncc2NC(=O)OC(C)(C)C)c(C)c1

HCID22249598

Carbamic acid, [4-(2,4,6-trimethylphenyl)-3-pyridinyl]-, 1,1-dimethylethyl ester

C19H24N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72bb175238ad47f79c4a247076ac5e5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Ba+2:38].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[I:1][c:2]1[c:3]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:4][n:5][cH:6][cH:7]1.[OH-:37].[OH-:39].[OH2:29].[OH2:30].[OH2:31].[OH2:32].[OH2:33].[OH2:34].[OH2:35].[OH2:36].[OH2:46].[c:16]1([CH3:28])[c:17]([O:24][B:25]([OH:26])[OH:27])[c:18]([CH3:23])[cH:19][c:20]([CH3:22])[cH:21]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1(-[c:17]2[c:16]([CH3:28])[cH:21][c:20]([CH3:22])[cH:19][c:18]2[CH3:23])[c:3]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:4][n:5][cH:6][cH:7]1