查数据/反应详情

HRID208763

反应详情

EQUATION

反应方程式

HRID 208763 的结构方程式

REACTANTS

反应物

2

结构：C[Si](C)(C)N=C=O

Trimethylsilyl isocyanate

C4H9NOSi

结构：Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCNCC2)c(C)c1

未命名化合物

PRODUCTS

生成物

1

结构：Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCN(C(N)=O)CC2)c(C)c1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac27ef8ca75442f2ba646737583557ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[CH2:17][c:18]2[n:19][cH:20][cH:21][cH:22][c:23]2[CH:24]([CH3:25])[CH3:26])[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:27][Si:28]([CH3:29])([CH3:30])[N:31]=[C:32]=[O:33]>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH:11]2[CH2:12][CH2:13][N:14]([C:32]([NH2:31])=[O:33])[CH2:15][CH2:16]2)[CH2:17][c:18]2[n:19][cH:20][cH:21][cH:22][c:23]2[CH:24]([CH3:25])[CH3:26])[n:4][cH:5][c:6]([CH3:8])[cH:7]1

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