HRID2140855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID22250224

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCCCCC=CCSC2(c3ccc(-c4ccccc4)cc3)CC(C(=O)O)N(C2)C1=O

HCID72266019

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC2(c3ccc(-c4ccccc4)cc3)CN1C(=O)C(NC(=O)OC(C)(C)C)CCCCCC=CCS2)C(=O)NS(=O)(=O)C1CC1

HCID75090847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-221f295d07e24462ab88f8b37f62e743
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

[CH3:92][CH2:93][O:94][C:95]([CH3:96])=[O:97].[CH:80]([N:81]([CH2:82][CH3:83])[CH:84]([CH3:85])[CH3:86])([CH3:87])[CH3:88].[Cl:89][CH2:90][Cl:91].[NH2:41][C:42]1([C:47](=[O:48])[NH:49][S:50](=[O:51])(=[O:52])[CH:53]2[CH2:54][CH2:55]2)[CH:43]([CH:45]=[CH2:46])[CH2:44]1.[P-:56]([F:57])([F:58])([F:59])([F:60])([F:61])[F:62].[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]23[S:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH:17]([NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:18](=[O:26])[N:19]([CH:20]([C:22](=[O:23])[OH:24])[CH2:21]2)[CH2:25]3)[cH:5][cH:6]1.[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[n:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]23[S:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH:17]([NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:18](=[O:26])[N:19]([CH:20]([C:22](=[O:23])[NH:41][C:42]4([C:47](=[O:48])[NH:49][S:50](=[O:51])(=[O:52])[CH:53]5[CH2:54][CH2:55]5)[CH:43]([CH:45]=[CH2:46])[CH2:44]4)[CH2:21]2)[CH2:25]3)[cH:5][cH:6]1