HRID94669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID76639

Benzyl isocyanate

C8H7NO

结构：CC(C(=O)NC(C(=O)N1CCC2NCC(OCc3ccc(F)cc3)C21)C(C)(C)C)N(C)C(=O)OCc1ccccc1

HCID67609530

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)NC(C(=O)N1CCC2C1C(OCc1ccc(F)cc1)CN2C(=O)NCc1ccccc1)C(C)(C)C)N(C)C(=O)OCc1ccccc1

HCID67609238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dfa67c2b9f94aa09f562f3c23b55f7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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