HRID2148163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：[N-]=[N+]=NCC1CN(c2ccc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)c(F)c2)C(=O)O1

HCID178514568

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC1CN(c2ccc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)c(F)c2)C(=O)O1

HCID178474638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76f8783b04514a1d82f15d90b4e4e34a
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

[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:58][C:59](=[O:60])[O:61][C:62](=[O:63])[CH3:64].[N:20](=[N+:21]=[N-:22])[CH2:23][CH:24]1[CH2:25][N:26]([c:30]2[cH:31][c:32]([F:56])[c:33]([S:36][C:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[cH:34][cH:35]2)[C:27](=[O:29])[O:28]1.[OH2:57].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1>>[NH:20]([CH2:23][CH:24]1[CH2:25][N:26]([c:30]2[cH:31][c:32]([F:56])[c:33]([S:36][C:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[cH:34][cH:35]2)[C:27](=[O:29])[O:28]1)[C:59]([CH3:58])=[O:60]