HRID211673

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

HCID21907413

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=C1OC(COc2ccon2)CN1c1ccc(-c2ccc(CO)cc2)c(F)c1

HCID21907480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-493923a6798443d589e92142501c50d5
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

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