HRID90810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6049

Ethylenediaminetetraacetic acid

C10H16N2O8

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

结构：CC(C)(C)[Si](C)(C)OC1CN(C(=O)c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)C1

HCID58790045

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC1CN(C(=O)c2cc3nccc(Oc4ccc(N)cc4F)c3s2)C1

HCID58790300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a547dc12ecf41b68b0ab603727cf91d
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

[BH4-:35].[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][N:9]([C:11](=[O:12])[c:13]2[cH:14][c:15]3[n:16][cH:17][cH:18][c:19]([O:22][c:23]4[c:24]([F:32])[cH:25][c:26]([N+:29]([O-:30])=[O:31])[cH:27][cH:28]4)[c:20]3[s:21]2)[CH2:10]1)([CH3:33])[CH3:34].[CH2:37]([N:38]([CH2:39][C:40]([OH:41])=[O:42])[CH2:43][C:44]([OH:45])=[O:46])[CH2:47][N:48]([CH2:49][C:50]([OH:51])=[O:52])[CH2:53][C:54]([OH:55])=[O:56].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:57][OH:58].[Na+:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][N:9]([C:11](=[O:12])[c:13]2[cH:14][c:15]3[n:16][cH:17][cH:18][c:19]([O:22][c:23]4[c:24]([F:32])[cH:25][c:26]([NH2:29])[cH:27][cH:28]4)[c:20]3[s:21]2)[CH2:10]1)([CH3:33])[CH3:34]