HRID162664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID2773524

3-(N-Methylaminocarbonyl)phenylboronic acid

C8H10BNO3

结构：CN1CCN(CCCNc2nccc(-c3cc4ccc(Br)cc4s3)n2)CC1

HCID68856615

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：CNC(=O)c1cccc(-c2ccc3cc(-c4ccnc(NCCCN5CCN(C)CC5)n4)sc3c2)c1

HCID68857904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6b58117db8a488c9589e0de1691b46e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](-[c:10]3[n:11][c:12]([NH:16][CH2:17][CH2:18][CH2:19][N:20]4[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]4)[n:13][cH:14][cH:15]3)[cH:9]2)[cH:27]1.[CH3:123][S:124]([CH3:125])=[O:126].[CH3:28][NH:29][C:30](=[O:31])[c:32]1[cH:33][c:34]([B:38]([OH:39])[OH:40])[cH:35][cH:36][cH:37]1.[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[OH2:127].[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][c:32]([C:30]([NH:29][CH3:28])=[O:31])[cH:37][cH:36][cH:35]2)[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](-[c:10]3[n:11][c:12]([NH:16][CH2:17][CH2:18][CH2:19][N:20]4[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]4)[n:13][cH:14][cH:15]3)[cH:9]2)[cH:27]1