HRID318765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID244

Benzyl alcohol

C7H8O

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1C(C(OCc2ccccc2)C(Cc2cc(F)cc(F)c2)N(Cc2ccccc2)Cc2ccccc2)COC1(C)C

HCID77514015

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(C(OCc2ccccc2)C(Cc2cc(F)cc(OCc3ccccc3)c2)N(Cc2ccccc2)Cc2ccccc2)COC1(C)C

HCID178452438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3877eb47d3f0419ba9db5b70016b49ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[C:19]([CH3:57])([CH3:58])[O:20][CH2:21][CH:22]1[CH:23]([CH:24]([CH2:25][c:26]1[cH:27][c:28]([F:33])[cH:29][c:30]([F:32])[cH:31]1)[N:34]([CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[O:49][CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:61][N:62]1[CH2:63][CH2:64][CH2:65][C:66]1=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl-:59].[H-:2].[NH4+:60].[Na+:1].[OH:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[O:3]([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[c:30]1[cH:29][c:28]([F:33])[cH:27][c:26]([CH2:25][CH:24]([CH:23]([CH:22]2[N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[C:19]([CH3:57])([CH3:58])[O:20][CH2:21]2)[O:49][CH2:50][c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[N:34]([CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:31]1