HRID1146784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

2 次

HCID8857

Ethyl acetate

C4H8O2

2 次

结构：CC(C)(C)[Si](OCCc1ncc2c(n1)CCCC2N=[N+]=[N-])(c1ccccc1)c1ccccc1

HCID57932497

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](OCCc1ncc2c(n1)CCCC2N)(c1ccccc1)c1ccccc1

HCID58841376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b574032eed844311b97c812608364be3
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

[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[CH3:40][OH:41].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:49][OH:50].[N:1](=[N+:2]=[N-:3])[CH:4]1[c:5]2[cH:6][n:7][c:8]([CH2:14][CH2:15][O:16][Si:17]([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[C:30]([CH3:31])([CH3:32])[CH3:33])[n:9][c:10]2[CH2:11][CH2:12][CH2:13]1.[NH3:42]>>[NH2:1][CH:4]1[c:5]2[cH:6][n:7][c:8]([CH2:14][CH2:15][O:16][Si:17]([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[C:30]([CH3:31])([CH3:32])[CH3:33])[n:9][c:10]2[CH2:11][CH2:12][CH2:13]1