HRID93628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID196621

Bis(benzyloxy)(diisopropylamino)phosphine

C20H28NO2P

结构：COc1cc(-n2ccnc(Sc3ccc(OC(F)(F)F)cc3)c2=O)ccc1OCC1(O)CC(F)(F)C1

HCID57540520

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2ccnc(Sc3ccc(OC(F)(F)F)cc3)c2=O)ccc1OCC1(OP(=O)(OCc2ccccc2)OCc2ccccc2)CC(F)(F)C1

HCID57540648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3d08b03b2304f11ab41811bcec5e554
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

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