HRID148488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCOC(=O)CCCc1c(C)n(CCCC(=O)OCC)c2c(C#Cc3ccc(O)cc3)cccc12

HCID66739092

Ethyl 4-[1-(4-ethoxy-4-oxobutyl)-7-[2-(4-hydroxyphenyl)ethynyl]-2-methylindol-3-yl]butanoate

C29H33NO5

结构：Cc1ccc(S(=O)(=O)OCCCCc2c(F)c(F)c(F)c(F)c2F)cc1

HCID87130928

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCc1c(C)n(CCCC(=O)OCC)c2c(C#Cc3ccc(OCCCCc4c(F)c(F)c(F)c(F)c4F)cc3)cccc12

HCID87130981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7417fd9aae14f8d9b4f82a7d7009ca6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH3:42][c:43]1[cH:44][cH:45][c:46]([S:47]([O:48][CH2:53][CH2:54][CH2:55][CH2:56][c:57]2[c:58]([F:67])[c:59]([F:66])[c:60]([F:65])[c:61]([F:64])[c:62]2[F:63])(=[O:49])=[O:50])[cH:51][cH:52]1.[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[Cs+:5].[Cs+:6].[OH2:73].[OH:7][c:8]1[cH:9][cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[c:21]([CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[c:22]([CH3:33])[n:23]([CH2:25][CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:24]23)[cH:12][cH:13]1>>[O:7]([c:8]1[cH:9][cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[c:21]([CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[c:22]([CH3:33])[n:23]([CH2:25][CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:24]23)[cH:12][cH:13]1)[CH2:53][CH2:54][CH2:55][CH2:56][c:57]1[c:58]([F:67])[c:59]([F:66])[c:60]([F:65])[c:61]([F:64])[c:62]1[F:63]