HRID91485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2359

2-benzothienylboronic acid

C8H7BO2S

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID57808271

未命名化合物

PRODUCTS

生成物

结构：c1ccc2sc(-c3ccnc(Nc4ccc5c(c4)OCCO5)c3)cc2c1

HCID57808231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b1ff02121454380a9e183a7d438b987
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

[CH3:108][O:109][CH2:110][CH2:111][O:112][CH3:113].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([NH:11][c:12]1[n:13][cH:14][cH:15][c:16]([I:18])[cH:17]1)[cH:10]2.[Pd:31].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1.[c:51]1([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)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([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)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([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)[cH:103][cH:104][cH:105][cH:106][cH:107]1.[s:19]1[c:20]([B:28]([OH:29])[OH:30])[cH:21][c:22]2[c:23]1[cH:24][cH:25][cH:26][cH:27]2>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([NH:11][c:12]1[n:13][cH:14][cH:15][c:16](-[c:20]3[s:19][c:23]4[c:22]([cH:21]3)[cH:27][cH:26][cH:25][cH:24]4)[cH:17]1)[cH:10]2