HRID202515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6276

1-Pentanol

C5H12O

HCID81531

Diisopropylethylamine

C8H19N

HCID23435803

tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate

C14H26N2O2

结构：Cc1ccc(S(=O)(=O)n2ccc3c(-c4c(-c5ccc(F)cc5)nc5ccc(Cl)nn45)ccnc32)cc1

HCID58046364

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(-c4c(-c5ccc(F)cc5)nc5ccc(N6CCC7(CCCN(C(=O)OC(C)(C)C)C7)CC6)nn45)ccnc32)cc1

HCID58046371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a16db3492b944f4f9bea0e58db32a44c
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

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