Benzene → 14-Tert-butoxycarbonylamino-18-(6-methoxy-isoquinolin-1-yloxy)-2,15-dioxo-10-oxa-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid ethyl ester

HRID 188913Notes

Reaction equation

HRID 188913 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[N:15]([C:32]([CH:33]([CH2:34][CH2:35][CH2:36][O:37][CH2:38][CH:39]=[CH2:40])[NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[CH2:16][CH:17]([O:19][c:20]3[n:21][cH:22][cH:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]12[CH:7]([CH2:8]1)[CH:9]=[CH:10][CH2:38][O:37][CH2:36][CH2:35][CH2:34][CH:33]([NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[C:32](=[O:49])[N:15]1[CH:14]([C:12](=[O:13])[NH:11]2)[CH2:18][CH:17]([O:19][c:20]2[n:21][cH:22][cH:23][c:24]3[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]23)[CH2:16]1

Participants

3

Reactant 2

HCID 241BenzeneHCID 687495351-{[1-(5-Allyloxy-2-tert-butoxycarbonylamino-pentanoyl)-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

Product 1

HCID 6874824914-Tert-butoxycarbonylamino-18-(6-methoxy-isoquinolin-1-yloxy)-2,15-dioxo-10-oxa-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-3af506f9d9674e938568b701bb69ef80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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