HRID300414

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

HCID6342

Acetonitrile

C2H3N

HCID28064785

6-Chloro-N,N-dimethylpyrazine-2-carboxamide

C7H8ClN3O

结构：CC1(C)OB(c2cnc3c(c(-c4ccc(F)cc4)cn3COCC[Si](C)(C)C)c2Cl)OC1(C)C

HCID57537544

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cncc(-c2cnc3c(c(-c4ccc(F)cc4)cn3COCC[Si](C)(C)C)c2Cl)n1

HCID57537604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bba1ee478bf44243b7652e79d0732bd1
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:47](=[O:48])([OH:49])[O-:50].[CH3:35][N:36]([C:37](=[O:38])[c:39]1[n:40][c:41]([Cl:45])[cH:42][n:43][cH:44]1)[CH3:46].[CH3:52][C:53]#[N:54].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[B:8]1[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]1)[n:17]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[cH:18][c:19]2-[c:20]1[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]1.[Na+:51]>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1-[c:41]1[n:40][c:39]([C:37]([N:36]([CH3:35])[CH3:46])=[O:38])[cH:44][n:43][cH:42]1)[n:17]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[cH:18][c:19]2-[c:20]1[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]1