HRID1121886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1003

Dihydrogen phosphate

H2O4P-

HCID6342

Acetonitrile

C2H3N

HCID6386

tert-Butyl alcohol

C4H10O

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

结构：CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(-c5nc(C=O)c[nH]5)c4)cc3C2)c1

HCID178440925

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(-c5nc(C(=O)O)c[nH]5)c4)cc3C2)c1

HCID178440927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bc73b5499f34e359685684cd462e7bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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