HRID201575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID81531

Diisopropylethylamine

C8H19N

HCID20132751

Methyl azetidine-3-carboxylate

C5H9NO2

结构：Cc1cc(CO)sc1-c1noc(-c2ccc(Oc3ccccc3)c(F)c2)n1

HCID68525640

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(Cc2cc(C)c(-c3noc(-c4ccc(Oc5ccccc5)c(F)c4)n3)s2)C1

HCID68525875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2a1019c578043eb834c325ee23e445f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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