HRID938657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

结构：CNC(=O)c1ccc2cc(C(O)(CC(=O)OC(C)(C)C)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID178485277

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(O)(c1ccc2cc(C(=O)NC)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID57465806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-940a2869fbcf4f97b37047fd6b7b0411
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][CH2:2][OH:3].[CH3:55][CH:56]([CH3:57])[O-:58].[CH3:59][CH:60]([CH3:61])[O-:62].[CH3:63][CH:64]([CH3:65])[O-:66].[CH3:67][CH:68]([CH3:69])[O-:70].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[Cl-:54].[ClH:52].[Na+:53].[OH:4][C:5]([CH2:6][C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])([c:14]1[n:15][cH:16][n:17]([C:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:18]1)[c:38]1[cH:39][c:40]2[cH:41][cH:42][c:43]([C:48](=[O:49])[NH:50][CH3:51])[cH:44][c:45]2[cH:46][cH:47]1.[Ti+4:71]>>[OH:4][C:5]([CH2:6][C:7](=[O:8])[O:9][CH2:10][CH3:11])([c:14]1[n:15][cH:16][n:17]([C:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:18]1)[c:38]1[cH:39][c:40]2[cH:41][cH:42][c:43]([C:48](=[O:49])[NH:50][CH3:51])[cH:44][c:45]2[cH:46][cH:47]1