HRID2147481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7679

Benzeneacetyl chloride

C8H7ClO

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID81531

Diisopropylethylamine

C8H19N

结构：COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)C3CC(NC(=O)Cc4ccccc4)CN(C(=O)OCC4c5ccccc5-c5ccccc54)C3)C3CC3)cc21

HCID178495232

未命名化合物

PRODUCTS

生成物

结构：COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)C3CNCC(NC(=O)Cc4ccccc4)C3)C3CC3)cc21

HCID178495237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-267de6e42b964e63b14dcbdee3222995
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:84]1[CH2:85][CH2:86][C:87]2=[N:92][CH2:91][CH2:90][CH2:89][N:88]2[CH2:93][CH2:94]1.[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:75]([N:76]([CH:77]([CH3:78])[CH3:79])[CH2:80][CH3:81])([CH3:82])[CH3:83].[ClH:58].[c:65]1([CH2:66][C:67]([Cl:68])=[O:69])[cH:70][cH:71][cH:72][cH:73][cH:74]1.[cH:1]1[c:2]2[c:14]([cH:15][cH:16][cH:17]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][O:5][C:6](=[O:7])[N:18]1[CH2:19][CH:20]([C:34]([N:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:53]2)[N:41]([CH2:48][CH2:49][CH2:50][O:51][CH3:52])[C:42](=[O:47])[C:43]([CH3:45])([CH3:46])[O:44]3)[CH:54]2[CH2:55][CH2:56]2)=[O:57])[CH2:21][CH:22]([NH:24][C:25]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[CH2:23]1>>[NH:18]1[CH2:19][CH:20]([C:34]([N:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:53]2)[N:41]([CH2:48][CH2:49][CH2:50][O:51][CH3:52])[C:42](=[O:47])[C:43]([CH3:45])([CH3:46])[O:44]3)[CH:54]2[CH2:55][CH2:56]2)=[O:57])[CH2:21][CH:22]([NH:24][C:25]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[CH2:23]1