HRID123046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID7237

o-Xylene

C8H10

HCID21877591

未命名化合物

结构：C[Si](C)(C)CCOCn1nc(C=Cc2ccccc2)c2ccc(I)cc21

HCID69370147

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3c(C=Cc4ccccc4)nn(COCC[Si](C)(C)C)c3c2)cc1N=C(c1ccccc1)c1ccccc1

HCID73851831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53bd5cf0b1a7453f9590daf88d694c1e
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

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