HRID1128446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID11164646

Hexaethylene Glycol Monobenzyl Ether

C19H32O7

结构：O=C1OC(CO)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

HCID57558151

未命名化合物

PRODUCTS

生成物

结构：O=C(OCCOCCOCCOCCOCCOCCOCc1ccccc1)OCC1CN(c2ccc3cc(-c4ccccc4C(F)(F)F)[nH]c(=O)c3c2)C(=O)O1

HCID178525615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-002b4890880c44609d99d253a78da9db
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

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