HRID199668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)C(Cc1ccc2c(cnn2S(=O)(=O)CC[Si](C)(C)C)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1

HCID58864349

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCS(=O)(=O)n1ncc2cc(CC(NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)O)ccc21

HCID21102232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-145f928141984d73b828a8c5cf5cb2f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][n:10][n:11]([S:15](=[O:16])(=[O:17])[CH2:18][CH2:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[c:12]2[cH:13][cH:14]1)[NH:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][CH:30]([N:33]2[C:34](=[O:43])[NH:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[CH2:42]2)[CH2:31][CH2:32]1)=[O:44].[CH3:54][OH:55].[ClH:48].[Li+:47].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:46].[OH2:45].[OH2:56]>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][n:10][n:11]([S:15](=[O:16])(=[O:17])[CH2:18][CH2:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[c:12]2[cH:13][cH:14]1)[NH:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][CH:30]([N:33]2[C:34](=[O:43])[NH:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[CH2:42]2)[CH2:31][CH2:32]1)[OH:44]