Acetonitrile → HCID 178471393, compound

HRID 189708Notes

Reaction equation

HRID 189708 reaction equation
[Br:22][CH:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][N:34]1[C:35](=[O:44])[c:36]2[c:37]([cH:40][cH:41][cH:42][cH:43]2)[C:38]1=[O:39].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][C:53]#[N:54].[NH2:1][CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9]>>[NH:1]([CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9])[CH:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][N:34]1[C:35](=[O:44])[c:36]2[c:37]([cH:40][cH:41][cH:42][cH:43]2)[C:38]1=[O:39]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 134545423-amino-5-t-butoxycarbonylmethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-oneHCID 13622532Ethyl 2-bromo-7-phthalimidoheptanoate

Product 1

HCID 178471393HCID 178471393, compound

Sources & evidence

ORD record
ord-1e00100247bc446cad6248be9ca72fc7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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