Acetonitrile → HCID 13622546, compound

HRID 283853Notes

Reaction equation

HRID 283853 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][CH2:34][CH2:35][N:36]1[C:37](=[O:46])[c:38]2[c:39]([cH:42][cH:43][cH:44][cH:45]2)[C:40]1=[O:41].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[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][CH2:34][CH2:35][N:36]1[C:37](=[O:46])[c:38]2[c:39]([cH:42][cH:43][cH:44][cH:45]2)[C:40]1=[O:41]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 134545423-amino-5-t-butoxycarbonylmethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-oneHCID 13622534Ethyl 2-bromo-9-phthalimidononanoate

Product 1

HCID 13622546HCID 13622546, compound

Sources & evidence

ORD record
ord-2b307e841e9447efba4bc8f84f6c40c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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