HRID165814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC[Si](CC)(CC)OC(CI)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

HCID22220584

未命名化合物

HCID178497500

未命名化合物

PRODUCTS

生成物

结构：CC[Si](CC)(CC)OC(CNC(C)Cc1c[nH]c2c(C(=O)OC)cccc12)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

HCID178477582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b57df888f5fa4a9096313d5c41e48f3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:57](=[O:58])([O-:59])[OH:60].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([NH:26][S:27](=[O:28])(=[O:29])[CH3:30])[cH:11][c:12]([CH:15]([CH2:16][I:17])[O:18][Si:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[CH2:24][CH3:25])[cH:13][cH:14]1.[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[NH2:31][CH:32]([CH2:33][c:34]1[cH:35][nH:36][c:37]2[c:38]([C:43](=[O:44])[O:45][CH3:46])[cH:39][cH:40][cH:41][c:42]12)[CH3:47].[Na+:61].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([NH:26][S:27](=[O:28])(=[O:29])[CH3:30])[cH:11][c:12]([CH:15]([CH2:16][NH:31][CH:32]([CH2:33][c:34]2[cH:35][nH:36][c:37]3[c:38]([C:43](=[O:44])[O:45][CH3:46])[cH:39][cH:40][cH:41][c:42]23)[CH3:47])[O:18][Si:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[CH2:24][CH3:25])[cH:13][cH:14]1