HRID1133965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID105055

Ytterbium(3+)

Yb+3

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

HCID9855690

5-OXIRANYLMETHOXY-1H-INDOLE

C11H11NO2

结构：CCCCNC(=O)COc1ccc2c(c1)CC(NCc1ccccc1)CCC2

HCID18007236

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)COc1ccc2c(c1)CC(N(Cc1ccccc1)CC(O)COc1ccc3[nH]ccc3c1)CCC2

HCID178449527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8929890c920c48ffb29ef31030a213f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:68](=[O:69])([OH:70])[O-:71].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][c:13]2[c:14]([cH:16][c:17]([O:20][CH2:21][C:22](=[O:23])[NH:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:18][cH:19]2)[CH2:15]1.[Cl:73][CH2:74][Cl:75].[F:43][C:44]([F:45])([F:46])[S:47]([O-:48])(=[O:49])=[O:50].[F:52][C:53]([F:54])([F:55])[S:56]([O-:57])(=[O:58])=[O:59].[F:60][C:61]([F:62])([F:63])[S:64]([O-:65])(=[O:66])=[O:67].[Na+:72].[Yb+3:51].[nH:29]1[cH:30][cH:31][c:32]2[cH:33][c:34]([O:38][CH2:39][CH:40]3[CH2:41][O:42]3)[cH:35][cH:36][c:37]12>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH2:12][c:13]2[c:14]([cH:16][c:17]([O:20][CH2:21][C:22](=[O:23])[NH:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:18][cH:19]2)[CH2:15]1)[CH2:41][CH:40]([CH2:39][O:38][c:34]1[cH:33][c:32]2[cH:31][cH:30][nH:29][c:37]2[cH:36][cH:35]1)[OH:42]