HRID1571879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID3352185

Neopentyl chloroformate

C6H11ClO2

结构：NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(Oc3nccc4ccccc34)CN2C1=O

HCID72427481

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(Oc3nccc4ccccc34)CN2C1=O

HCID72427451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35c500d25acc43d181b3454b5958e2a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[CH3:72][OH:73].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:54][C:55](=[O:56])[O:57][CH2:58][C:59]([CH3:60])([CH3:61])[CH3:62].[Cl:63][CH2:64][Cl:65].[ClH:1].[ClH:2].[NH2:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[CH:11][CH:12]2[CH2:13][C:14]2([C:36](=[O:37])[NH:38][S:39](=[O:40])(=[O:41])[CH:42]2[CH2:43][CH2:44]2)[NH:15][C:16](=[O:35])[CH:17]2[CH2:18][CH:19]([O:24][c:25]3[n:26][cH:27][cH:28][c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]34)[CH2:20][N:21]2[C:22]1=[O:23]>>[NH:3]([CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[CH:11][CH:12]2[CH2:13][C:14]2([C:36](=[O:37])[NH:38][S:39](=[O:40])(=[O:41])[CH:42]2[CH2:43][CH2:44]2)[NH:15][C:16](=[O:35])[CH:17]2[CH2:18][CH:19]([O:24][c:25]3[n:26][cH:27][cH:28][c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]34)[CH2:20][N:21]2[C:22]1=[O:23])[C:55](=[O:56])[O:57][CH2:58][C:59]([CH3:60])([CH3:61])[CH3:62]