HRID1569913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID73026

3-Hydroxy-1,2,3-benzotriazin-4(3H)-one

C7H5N3O2

HCID130500

未命名化合物

HCID18922883

未命名化合物

结构：CC(C)(C)OC(=O)n1cnc(CC(NC(=O)C(Cc2ccccc2)CS(=O)(=O)C(C)(C)C)C(=O)O)c1

HCID178452551

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1cnc(CC(NC(=O)C(Cc2ccccc2)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC2CCCCC2)C(O)C(O)C2CC2)c1

HCID178452550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfd4c32b6276483d9ee6bc556eec7208
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[cH:9][n:10][c:11]([CH2:13][CH:14]([C:15](=[O:16])[OH:17])[NH:18][C:19]([CH:20]([CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:28][S:29](=[O:30])(=[O:31])[C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:12]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:96][N:97]([CH3:98])[CH:99]=[O:100].[NH2:37][CH:38]([CH:39]([CH:40]([OH:41])[CH:42]1[CH2:43][CH2:44]1)[OH:45])[CH2:46][CH:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[OH:53][n:54]1[c:55](=[O:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1.[P-:72]([F:73])([F:74])([F:75])([F:76])([F:77])[F:78].[n:79]1([O:80][C:81]([N:82]([CH3:83])[CH3:84])=[N+:85]([CH3:86])[CH3:87])[c:88]2[cH:89][cH:90][cH:91][cH:92][c:93]2[n:94][n:95]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[cH:9][n:10][c:11]([CH2:13][CH:14]([C:15](=[O:17])[NH:37][CH:38]([CH:39]([CH:40]([OH:41])[CH:42]2[CH2:43][CH2:44]2)[OH:45])[CH2:46][CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[NH:18][C:19]([CH:20]([CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:28][S:29](=[O:30])(=[O:31])[C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:12]1