HRID1141409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID21867017

O-[2-(Ethenyloxy)ethyl]hydroxylamine

C4H9NO2

结构：COC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1C1CC1

HCID59596540

1-cyclopropyl-3-(2-fluoro-4-iodo-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid methyl ester

C18H15FIN3O2

PRODUCTS

生成物

结构：C=COCCONC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1C1CC1

HCID59596506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1062eab7715a45eb991baa834cef64eb
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

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