HRID87026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID79196

Piperazine, 1-ethyl-

C6H14N2

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3nc(C(=O)O)cs3)cn2)cc1

HCID67385373

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(C(=O)c2csc(N3CCc4c(-c5cnc(N(Cc6ccc(OC)cc6)Cc6ccc(OC)cc6)nc5)nc(N5CCOCC5)nc43)n2)CC1

HCID67386368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e05e4984255b49009450c73aff5077e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:49]([CH3:50])[N:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[N:27]([c:30]3[s:31][cH:32][c:33]([C:35](=[O:36])[OH:37])[n:34]3)[CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:38][c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[cH:47][cH:48]1.[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH:57][n:58]1[c:59]2[c:60]([cH:61][cH:62][cH:63][cH:64]2)[n:65][n:66]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[N:27]([c:30]3[s:31][cH:32][c:33]([C:35](=[O:37])[N:54]5[CH2:53][CH2:52][N:51]([CH2:49][CH3:50])[CH2:56][CH2:55]5)[n:34]3)[CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:38][c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[cH:47][cH:48]1