HRID2159509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

HCID985

Hexadecanoic acid

C16H32O2

HCID8471

Triethylamine

C6H15N

结构：CC1(OCCO)CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

HCID218108

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCC(=O)OCCOC1(C)CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

HCID21440917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13b896b6f86c43869a94a3950b493a20
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

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