HRID1233517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：CSc1ncc(-c2cnc3c(ccn3COCC[Si](C)(C)C)n2)c(NC2CCCN(S(C)(=O)=O)C2)n1

HCID69812830

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCn1ccc2nc(-c3cncnc3NC3CCCN(S(C)(=O)=O)C3)cnc21

HCID69811931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-030e63a6ac2e4ea5ac9ea49579caf497
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH:7]([NH:11][c:12]2[n:13][c:14]([S:35][CH3:36])[n:15][cH:16][c:17]2-[c:18]2[n:19][c:20]3[c:21]([n:22][cH:23]2)[n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[cH:25][cH:26]3)[CH2:8][CH2:9][CH2:10]1.[CH3:37][CH2:38][OH:39].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:40]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH:7]([NH:11][c:12]2[n:13][cH:14][n:15][cH:16][c:17]2-[c:18]2[n:19][c:20]3[c:21]([n:22][cH:23]2)[n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[cH:25][cH:26]3)[CH2:8][CH2:9][CH2:10]1