HRID92433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc2ncc(F)c(C(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3C(=O)O)c2c1

HCID178487924

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(C(=O)OC(C)(C)C)CCC1CCC(=O)c1c(F)cnc2ccc(OC)cc12

HCID178498863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d83a27434a2f4a19bb77dcfbb3130324
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[N:12]1[CH2:13][CH:14]([C:35](=[O:36])[OH:37])[CH:15]([CH2:18][CH2:19][C:20](=[O:21])[c:22]2[c:23]([F:34])[cH:24][n:25][c:26]3[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][c:31]23)[CH2:16][CH2:17]1.[CH3:50][OH:51].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:47][CH2:48][Cl:49].[S:1]([Cl:2])([Cl:3])=[O:4]>>[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[N:12]1[CH2:13][CH:14]([C:35](=[O:36])[O:37][CH3:38])[CH:15]([CH2:18][CH2:19][C:20](=[O:21])[c:22]2[c:23]([F:34])[cH:24][n:25][c:26]3[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][c:31]23)[CH2:16][CH2:17]1