HRID1133174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

结构：O=C(Nc1cc2ccccc2c(Br)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1

HCID57732996

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：O=C(Nc1cc2ccccc2c(-c2ccc(CO)cc2)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1

HCID57733015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f622d4fae9649939c5988de8fab3b2f
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[n:3][c:4]([NH:12][C:13](=[O:14])[C:15]2([c:18]3[cH:19][c:20]4[c:21]([cH:27][cH:28]3)[O:22][C:23]([F:25])([F:26])[O:24]4)[CH2:16][CH2:17]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[C:40](=[O:41])([O-:42])[O-:43].[CH3:123][O:124][CH2:125][CH2:126][O:127][CH3:128].[Na+:44].[Na+:45].[OH:29][CH2:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([CH2:30][OH:29])[cH:36][cH:35]2)[n:3][c:4]([NH:12][C:13](=[O:14])[C:15]2([c:18]3[cH:19][c:20]4[c:21]([cH:27][cH:28]3)[O:22][C:23]([F:25])([F:26])[O:24]4)[CH2:16][CH2:17]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12