HRID688211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1ccc(S(=O)(=O)OCCNC(=O)OC(C)(C)C)cc1

HCID10781634

2-[(tert-Butoxycarbonyl)amino]ethyl 4-methylbenzene-1-sulfonate

C14H21NO5S

HCID16036407

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCN1CC2CN(Cc3ccccc3)CC(C1)O2

HCID10144351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fd5d8bf1cc5415792b004658efa4b94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:19](=[O:20])([OH:21])[O-:22].[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[CH2:11][CH:12]2[CH2:13][NH:14][CH2:15][CH:16]([CH2:17]1)[O:18]2.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[ClH:1].[ClH:2].[Na+:23].[O:24]([S:25]([c:26]1[cH:27][cH:28][c:29]([CH3:30])[cH:31][cH:32]1)(=[O:33])=[O:34])[CH2:35][CH2:36][NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44].[OH2:58].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[CH2:11][CH:12]2[CH2:13][N:14]([CH2:35][CH2:36][NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:15][CH:16]([CH2:17]1)[O:18]2