HRID1121517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID8195

1-Dodecanethiol

C12H26S

HCID5360545

Sodium

结构：CC1(C)CC(N(c2nc(Cl)nc(N(C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

HCID19895791

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCSc1nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1

HCID23037690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6128a78d43d74a398890e8274fc28516
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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