HRID2348443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)[Si](C)(C)Oc1ccc2cc(CCCCN)ccc2c1

HCID57828227

未命名化合物

HCID140444318

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)Oc1ccc2cc(CCCCNC(=N)NC(=O)c3nc(Cl)c(N)nc3N)ccc2c1

HCID178455020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f243f6af2f1d43d883d9fd78cd272c90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][c:12]([CH2:17][CH2:18][CH2:19][CH2:20][NH2:21])[cH:13][c:14]2[cH:15][cH:16]1)([CH3:22])[CH3:23].[CH3:49][CH2:50][OH:51].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[NH2:24][c:25]1[c:26]([C:33](=[O:34])[NH:35][C:36](=[NH:37])[S:38][CH3:39])[n:27][c:28]([Cl:32])[c:29]([NH2:31])[n:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][c:12]([CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:36]([NH:35][C:33]([c:26]3[c:25]([NH2:24])[n:30][c:29]([NH2:31])[c:28]([Cl:32])[n:27]3)=[O:34])=[NH:37])[cH:13][c:14]2[cH:15][cH:16]1)([CH3:22])[CH3:23]