HRID1560325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID11379587

3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzdiazepin-2-one

C14H19N3O

结构：CC(C)(C)CCN1C(=O)C(CC(=O)O)SC1c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)s1

HCID76601989

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)SC1c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)s1

HCID178444715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f45e3b80acf6468da04bbd80bf25a52f
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[CH2:9][CH2:10][CH:11]([c:14]2[s:15][c:16]([CH:19]3[S:20][CH:21]([CH2:31][C:32](=[O:33])[OH:34])[C:22](=[O:30])[N:23]3[CH2:24][CH2:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:17][n:18]2)[CH2:12][CH2:13]1.[CH2:45]([Cl:46])[CH2:47][Cl:48].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[Cl:76][CH2:77][Cl:78].[NH:58]1[CH2:59][CH2:60][CH:61]([N:64]2[C:65](=[O:75])[NH:66][c:67]3[c:68]([cH:71][cH:72][cH:73][cH:74]3)[CH2:69][CH2:70]2)[CH2:62][CH2:63]1.[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[s:15][c:16]([CH:19]3[S:20][CH:21]([CH2:31][C:32](=[O:33])[N:58]4[CH2:59][CH2:60][CH:61]([N:64]5[C:65](=[O:75])[NH:66][c:67]6[c:68]([cH:71][cH:72][cH:73][cH:74]6)[CH2:69][CH2:70]5)[CH2:62][CH2:63]4)[C:22](=[O:30])[N:23]3[CH2:24][CH2:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:17][n:18]2)[CH2:12][CH2:13]1