Acetonitrile → tert-butyl N-[[4-[2-[4-(1,3-benzothiazole-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]methyl]-N-[2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamate

HRID 289532

Reaction equation

HRID 289532 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:30][S:31]([O:32][CH2:35][CH2:36][O:37][c:38]1[cH:39][cH:40][c:41]([CH2:44][N:45]([CH2:46][CH:47]([c:48]2[cH:49][cH:50][c:51]([OH:58])[c:52]3[nH:53][c:54](=[O:57])[s:55][c:56]23)[OH:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[cH:42][cH:43]1)(=[O:33])=[O:34].[CH3:67][C:68]#[N:69].[s:8]1[c:9]([C:17](=[O:18])[N:19]2[CH2:20][CH2:21][O:22][C:23]3([CH2:24]2)[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[s:8]1[c:9]([C:17](=[O:18])[N:19]2[CH2:20][CH2:21][O:22][C:23]3([CH2:24]2)[CH2:25][CH2:26][N:27]([CH2:35][CH2:36][O:37][c:38]2[cH:39][cH:40][c:41]([CH2:44][N:45]([CH2:46][CH:47]([c:48]4[cH:49][cH:50][c:51]([OH:58])[c:52]5[nH:53][c:54](=[O:57])[s:55][c:56]45)[OH:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[cH:42][cH:43]2)[CH2:28][CH2:29]3)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 57989377Benzo[d]thiazol-2-yl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanoneHCID 766980502-[4-[[[2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenoxy]ethyl methanesulfonate

Product 1

HCID 67292821tert-butyl N-[[4-[2-[4-(1,3-benzothiazole-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]methyl]-N-[2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamate

Sources & evidence

ORD record
ord-a517884031a349e0a166318c64aacac2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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