HRID304510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID31275

1,4-Dioxane

C4H8O2

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

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

HCID53771522

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Oc2cc(C(F)(F)F)nn2C)nc(-c2ccsc2)n1

HCID54126317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bcc81081bf54cbcbdc289dab00a5f24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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