HRID295272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：CC(C)(C)[Si](C)(C)OCCNCCc1c[nH]c2ccccc12

HCID58756770

未命名化合物

结构：CC(C)(C)OC(=O)C=Cc1ccn(S(=O)(=O)c2ccc(CBr)cc2)c1

HCID66646386

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=Cc1ccn(S(=O)(=O)c2ccc(CN(CCO[Si](C)(C)C(C)(C)C)CCc3c[nH]c4ccccc34)cc2)c1

HCID66646256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0fb1f0232b3463092232dafcf727e58
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:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][NH:9][CH2:10][CH2:11][c:12]1[cH:13][nH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)([CH3:21])[CH3:22].[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28]([CH:29]=[CH:30][c:31]1[cH:32][n:33]([S:36](=[O:37])(=[O:38])[c:39]2[cH:40][cH:41][c:42]([CH2:45][Br:46])[cH:43][cH:44]2)[cH:34][cH:35]1)=[O:47].[CH3:48][CH2:49][OH:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][N:9]([CH2:10][CH2:11][c:12]1[cH:13][nH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:45][c:42]1[cH:41][cH:40][c:39]([S:36]([n:33]2[cH:32][c:31]([CH:30]=[CH:29][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:47])[cH:35][cH:34]2)(=[O:37])=[O:38])[cH:44][cH:43]1)([CH3:21])[CH3:22]