HRID94343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

结构：Cc1ccc(-c2ncco2)cc1B1OC(C)(C)C(C)(C)O1

HCID53414252

2-[4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole

C16H20BNO3

HCID59004504

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ncco2)cc1-c1sc(NC(=O)c2c(F)cccc2F)nc1C

HCID24765025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82e9ce359b2d4be48a6c7b6c1a0c7e51
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

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