HRID1236863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID18525700

2,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

C11H18BNO2S

结构：O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)nc1Br

HCID178518753

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C)c(-c2nn(CCCN3CC4CC4(c4ccc(C(F)(F)F)cc4)C3)c(=O)[nH]c2=O)s1

HCID178432726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80014154d7414668bd3a24b196442e8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[n:7]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:29][c:30]1[s:31][c:32]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[c:33]([CH3:35])[n:34]1.[CH3:77][O:78][CH2:79][CH2:80][O:81][CH3:82].[Na+:49].[Na+:50].[OH2:76].[c:51]1(-[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][c:62]1[P:63]([CH:64]1[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1)[CH:70]1[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]1>>[c:2]1(-[c:32]2[s:31][c:30]([CH3:29])[n:34][c:33]2[CH3:35])[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[n:7]1