Toluene → 13-Tert-butyl-4-(2-ethyltetrazol-5-yl)-5-methoxy-18-thiophen-2-yl-10,13-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17)-pentaen-12-one

HRID 163636Notes

Reaction equation

HRID 163636 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:31])[c:7]2[c:8]([c:9](-[c:23]3[s:24][cH:25][cH:26][cH:27]3)[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([Br:20])[cH:18][c:19]2-3)[CH2:28][CH2:29][CH2:30]1.[CH2:32]([CH3:33])[n:34]1[n:35][c:36]([Sn:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[n:37][n:38]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:31])[c:7]2[c:8]([c:9](-[c:23]3[s:24][cH:25][cH:26][cH:27]3)[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17](-[c:36]4[n:35][n:34]([CH2:32][CH3:33])[n:38][n:37]4)[cH:18][c:19]2-3)[CH2:28][CH2:29][CH2:30]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 581248529-tert-butyl-2-bromo-3-methoxy-13-(2-thienyl)-5,6,9,10,11,12-hexahydro-8H-azepino[4',3':4,5]pyrrolo[2,1-a]isoquinolin-8-oneHCID 59626663Tributyl-(2-ethyltetrazol-5-yl)stannane

Product 1

HCID 5812492113-Tert-butyl-4-(2-ethyltetrazol-5-yl)-5-methoxy-18-thiophen-2-yl-10,13-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17)-pentaen-12-one

Sources & evidence

ORD record
ord-4e7179d11a794efabbdc2b27781b406b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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